| Modes |
Cytosine |
Thiocytosine |
| Cyt |
Cyt+ |
Cyt- |
|
TCyt+ |
TCyt- |
| PED |
PED |
PED |
PED |
PED |
PED |
| ν1 |
31φ (ring)+27φ (ring)+ 22γ (N1H)+19φ (ring) |
67φ (ring)+19φ (ring)+ 6γ (C-NH2)+6γ (N1H) |
34γ (N1H)+32φ (ring)+ 26φ (ring) |
30φ (ring)+29φ (ring)+23γ (N1H)+17φ (ring) |
49φ (ring)+20φ (ring)+ 20γ (C2S)+9γ (N1H) |
47φ (ring)+28γ (N1H) +11φ (ring) +7φ (ring) |
| ν2 |
55w (NH2)+20t (NH2)+ 8γ (C-NH2) |
66w (NH2)+27t (NH2)+ 6γ (C-NH2) |
29w (NH2)+17α (ring)+ 15ν (ring)+6β (CO)+
6β (C-NH2) |
49w (NH2)+31t (NH2) + 16γ (C-NH2)
|
80w (NH2)+ 16t (NH2) |
57w (NH2)+14γ (C5H)+8ν (ring)+8γ (C-NH2) |
| ν3 |
45φ (ring)+20φ (ring)+ 14w (NH2)+10φ (ring) |
42φ (ring)+37φ (ring)+ 13γ (N1H)+5γ (CO) |
41φ (ring)+23φ (ring)+ 19φ (ring)+6γ (C-NH2) |
51φ (ring)+32φ (ring)+7γ (CS)+ 5γ (C5H) |
67φ (ring)+18φ (ring)+ 5γ (C-NH2) |
42φ (ring)+16t (NH2)+ 9φ (ring)+6γ (C6H)+
6γ (C-NH2) |
| ν4 |
57β (C-NH2)+11β (CO) +8α (ring)+8r (NH2)+ 5ν (ring) |
48β (C-NH2)+26β (CO) +12α (ring) |
39β (C-NH2)+24t (NH2) +9β (CO)+6φ (ring) |
54β (C-NH2)+ 23β (CS)+8β (C-NH2) |
35β (C-NH2)+32ν (CS) +8β (CS)+11α (ring) |
46β (C-NH2)+20β (CS) +12ν (CS)+5β (C-NH2) |
| ν5 |
26γ (N1H)+23φ (ring)+ 15γ (C5H)+13φ (ring)+ 12φ (ring)+7γ (C-NH2) |
33φ (ring)+20γ (N1H)+ 14φ (ring)+10γ (C-NH2) +9γ (C5H)+8φ (ring) |
17φ (ring)+16γ (N1H)+ 9w (NH2)+9β (C-NH2)+ 8t (NH2)+13φ (ring)+ 5ν (C-NH2)+5γ (C6H) |
28φ (ring)+20γ (N1H) +16γ (C5H)+12φ (ring)+ 10φ (ring)+
8γ (C-NH2) |
35φ (ring)+21γ (C-NH2) +20γ (C5H)+11φ (ring)+6φ (ring) |
25φ (ring)+24γ (C-NH2) +19γ (C5H)+13φ (ring)+5γ (N1H) |
| ν6 |
58t (NH2)+13β (CO)+ 7γ (N1H) |
48γ (C4-N9)+24t (NH2) +13φ (ring)+7γ (N1H)+ 6γ (C-NH2) |
27t (NH2)+15γ (N1H)+ 14φ (ring)+8φ (ring)+ 8γ (C5H)+8γ (C-NH2) +7φ (ring) |
78t (NH2)+7φ (ring) +5γ (CS) |
46t (NH2)+19γ (N1H)+12γ (CS)+11φ (ring) +5γ (C-NH2) |
60t (NH2)+7γ (C-NH2)+ 7γ (C6H) |
| ν7 |
33β (CO)+15β (C-NH2) + 9α (ring)+5ν (ring) |
50β (CO)+22β (C-NH2) +6α (ring)+5ν (ring) +5β (C-NH2) |
23γ (C-NH2)+19ν (C-NH2)+11β (CO)+ 11γ (N1H)+6ν (ring)+ 6β (C-NH2)+ 5ν (ring) |
59β (CS)+21β (C-NH2) |
79β (CS)+ 7β (C-NH2) |
49β (CS)+18β (C-NH2) +9γ (C6H)+5ν (ring) |
| ν8 |
64α (ring)+10β (CO)+ 6β (C-NH2) |
76α (ring)+6ν (ring)+ 5ν (C-NH2) |
45α (ring)+18β (CO)+ 11β (C-NH2)+8α (ring) |
74α (ring)+8ν (C-NH2) |
74α (ring)+6ν (C-NH2) + 5α (ring)+5α (ring) |
38α (ring)+22α (ring)+ 11ν (ring)+9γ (N3H) |
| ν9 |
79α (ring)+4α (ring) |
64α (ring)+8ν (ring)+ 7ν (CO)+7ν (ring) |
60α (ring)+14γ (C6H)+ 5φ (ring) |
44α (ring)+28ν (CS)+8β (C-NH2)+ 5α (ring) |
42β (C-NH2)+ 21α (ring)+18ν (CS)+ 6β (C-NH2)+ 6β (CS) |
29γ (N1H)+19α (ring)+ 17ν (CS) +14β (C-NH2) |
| ν10 |
79γ (N1H)+9γ (C-NH2) +5γ (C5H) |
43γ (N1H)+18γ (C6H)+ 17φ (ring)+12γ (CO)+ 7γ (C5H) |
48γ (N1H)+10γ (C-NH2)+ 6γ (C5H)+5ν (C-NH2) |
53γ (N1H)+24γ (CS)+ 14φ (ring)+6φ (ring) |
61γ (N1H)+16γ (C-NH2) +9φ (ring)+6γ (CS) |
54γ (N1H)+15α (ring)+ 6ν (CS)+5β (CS)+ 5β (C-NH2)+φ (ring) |
| ν11 |
30γ (C-NH2)+30γ (C6H) +17γ (C6H) +11φ (ring) |
60γ (C5H)+19γ (C-NH2) +10φ (ring) |
73γ (C5H)+8γ (CO)+
5γ ( C-NH2) |
45φ (ring)+18γ (C5H)+17γ (C-NH2)+ 10γ (C6H)+8γ (CS) |
60γ (C5H)+15γ (C-NH2) +15γ (C6H)+6φ (ring) |
78γ (C5H)+13γ (C-NH2) |
| ν12 |
36γ (C5H)+24γ (C-NH2) +11γ (CO)+9φ (ring) |
31t (NH2)+30γ (C-NH2) +15φ (ring)+8w (NH2) |
42γ (C-NH2)+25φ (ring) +8φ (ring)+ 5ν (C-NH2) |
42γ (C5H)+30γ (C-NH2) +20φ (ring)+ 5φ (ring) |
55φ (ring)+24γ (C-NH2) +9γ (CS)+9γ (C6H) |
37γ (C-NH2)+ 26φ (ring)+15γ (CS)+ 14φ (ring) |
| ν13 |
22ν (ring)+10ν (ring)+ 9γ (C5H)+8γ (CO)+ 8α (ring)+6ν (ring)+ 6ν (C-NH2) |
53ν (ring)+14α (ring)+ 9ν (ring)+7ν (ring) |
24γ (C-NH2)+15γ (CO) +13ν (ring)+7ν (ring)+ 7γ (C5H)+ 5α (ring) |
40α (ring)+15ν (ring)+12ν (CS)+10ν (ring)+ 5α (ring) |
53α (ring)+14ν (CS)+ 9ν (ring)+6ν (ring)+ 6α (ring) |
37α (ring)+11ν (ring)+ 11ν (CS)+10ν (C-NH2)+ 14α (ring) |
| ν14 |
39φ (ring)+37γ (CO)+ 12γ (C-NH2)+7γ (C5H) |
43γ (CO)+28γ (N1H)+ 26φ (ring) |
49γ (CO)+28φ (ring)+ 5γ (C5H)+5γ (C-NH2) |
36γ (CS)+23γ (C-NH2) +15γ (N1H)+9φ (ring)+ 5t (NH2) |
31γ (CS)+17γ (N1H)+ 15t (NH2)+14φ (ring)+ 9γ (C-NH2)+ 8φ (ring) |
46φ (ring)+39γ (CS)+ 6γ (C-NH2) |
| ν15 |
29ν (ring)+20ν (ring)+ 12r (NH2)+10α (ring)+ 7β (CO)+5ν (C-NH2) +5β (C6H) |
28ν (ring)+16ν (ring)+ 11α (ring)+9r (NH2)+ 7ν (CO)+6β (CO)+6ν (C-NH2) |
34ν (ring)+21α (ring)+8ν (C-NH2)+7β (CO) +6β (C6H)+5α (ring) |
36ν (ring)+13ν (ring)+13β (C-NH2)+
9ν (C-NH2)+ 6α (ring) |
41ν (ring)+9ν (CS)+ 8ν (C-NH2)+11α (ring) |
19ν (CS)+17ν (C-NH2) +16ν (ring)+16α (ring)+15ν (ring)+5β (C6H) |
| ν16 |
79γ (C6H)+13γ (C5H) |
78γ (C6H)+10γ (C5H)+ 5γ (N1H)+ 5φ (ring) |
72γ (C6H)+ 14φ (ring) |
80γ (C6H)+ 12γ (C5H) |
68γ (C6H)+24γ (C5H) |
47γ (C6H)+19φ (ring)+ 10φ (ring)+7γ (N1H)+ 5α (ring) |
| ν17 |
53α (ring)+23ν (ring)+ 6ν (ring) |
30ν (ring)+21α (ring)+ 14ν (ring)+10β (CO)+ 8ν (ring) |
42α (ring)+22ν (ring)+6β (CO)+6ν (ring)+5ν (ring) |
48α (ring)+11ν (ring)+11ν (ring)+9ν (ring)+ 9ν (ring) |
47α (ring)+16ν (ring) +15ν (ring)+9ν (ring) |
38α (ring)+23ν (ring)+ 14ν (ring)+6ν (ring) |
| ν18 |
40r (NH2)+17ν (ring)+ 16β (CO)+10ν (ring) |
19r (NH2)+17ν (ring)+ 16α (ring)+12α (ring)+ 9ν (ring)+9ν (CO) |
47r (NH2)+12β (CO)+ 10ν (ring)+9ν (ring)+ 6ν (ring)+5ν (ring) |
52r (NH2)+10ν (ring)+ 6ν (ring)+5β (CS)+ 5ν (ring)+5ν (ring)+ 5ν (CS) |
47r (NH2)+16ν (ring)+ 8α (ring)+7ν (ring)+ 5ν (CS) |
56r (NH2)+15β (C5H)+ 13ν (ring) |
| ν19 |
39β (C5H)+28ν (ring)+ 15ν (ring) |
36β (C5H)+25ν (ring)+ 15ν (ring)+7r (NH2)+ 7β (N1H) |
33β (C6H)+27β (C5H)+ 12β (N1H)+10ν (ring)+ 6ν (ring)+5ν (ring) |
25β (C5H)+16ν (CS)+ 15ν (ring)+12ν (ring)+ 9ν (ring)+5α (ring)+ 5β (CS) |
38ν (ring)+29β (C5H)+ 8ν (ring)+5β (C-NH2) +5α (ring) |
31ν ( (ring)+28ν (ring)+ 14β (C5H)+8ν (ring) |
| ν20 |
24β (C6H)+20ν (ring)+ 16β (N1H)+12β (C5H)+ 10ν (ring) |
22ν (ring)+18β (C6H)+ 16r (NH2)+15β (C5H)+ 10β (N1H)+ 6β (C-NH2) |
47β (N1H)+11ν (ring)+ 9ν (C-NH2)+7β (C2H)+ 5ν (ring)+5α (ring)+ν (CO) |
36β (C6H)+20ν (ring)+ 18β (N1H)+15β (C5H) |
22β (C6H)+19β (C5H)+ 19ν (ring)+13β (N1H)+ 12ν (ring)+ 6ν (ring) |
21β (N1H)+19ν (ring)+ 19β (C6H)+18ν (ring)+ 7β (C5H) |
| ν21 |
42ν (ring)+9ν (C-NH2) +8β (C6H)+8ν (ring)+ 7ν (ring)+5β (C-NH2) |
22ν (ring)+21ν (CO)+ 20r (NH2)+12β (C6H)+ 8β (N1H) |
29ν (ring)+19ν (ring)+ 18ν (ring)+9β (C5H)+ 7ν (ring)+7β (N1H) |
41ν (ring)+10ν (ring)+ 10ν (ring)+8ν (ring) |
26ν (ring)+16ν (ring)+ 11ν (ring)+8β (C-NH2) +8ν (ring)+8β (C-NH2) |
32ν (C-NH2)+ 24α (ring)+17β (C5H)+ 6ν (ring)+ 5ν (CS) |
| ν22 |
23β (C6H)+22ν (C-NH2) +17β (C5H)+11ν (ring) |
19β (C5H)+17ν (ring)+ 15ν (C-NH2)+15ν (ring) +9β (C5H)+ 5r (NH2) |
29β (C5H)+15ν (ring)+ 14β (C6H)+14β (N1H)+ 10ν (ring)+6ν (C-NH2) |
24ν (ring)+22β (C6H)+19β (C5H)+10ν (ring)+9α (ring) |
24β (C6H)+16ν (ring)+ 12β (C5H)+10ν (ring)+ 10ν (ring)+8β (N1H)+ 5β (C-NH2) |
33β (C6H)+16β (C5H)+ 13β (C-NH2)+11ν (ring) +5β (C-NH2)+5ν (ring) |
| ν23 |
36β (N1H)+14ν (ring)+ 13ν (ring)+8ν (ring)+ 5r (NH2) |
20ν (ring)+17ν (ring)+ 12ν (CO)+10β (C6H)+ 8ν (ring)+6ν (ring)+ 5ν (ring)+5β (C5H) |
42ν (ring)+16ν (ring)+ 10ν ( (C-NH2)+7ν (ring) +7β (CO) |
22ν (ring)+19β (N1H)+17ν (ring)+9ν (ring)+ 8r (NH2)+7β (C-NH2) |
17ν (ring)+15β (N1H)+ 14β (C5H)+13ν (ring)+ 10ν (ring)+10ν (ring)+ 6ν (ring) |
47β (N1H)+17ν (ring)+ 9ν (ring)+6β (C6H) |
| ν24 |
20ν (ring)+19ν (C-NH2) +17β (C6H)+14β (C5H)+11ν (ring)+6s (NH2) |
31β (N1H)+19ν (C-NH2) +10ν (ring)+8s (NH2)+ 7ν (ring)+6ν (ring)+ 6β (C2H) |
22ν (C-NH2)+15β (C5H) +13ν (ring)+12ν (ring)+ 11β (C6H)+ 9ν (ring) |
32ν (C-NH2)+ 16β (C6H)+16ν (ring)+10β (C5H)+8β (C-NH2) + 7β (N1H)+6ν (ring) |
26ν (C-NH2)+16ν (ring) +15β (C-NH2)+ 12β (C6H)+7β (N1H)+ β (C5H) |
32ν (C-NH2)+24α (ring) +17β (C5H)+6ν (ring)+ 5ν (CS)+5ν (ring) |
| ν25 |
26ν (ring)+21ν (ring)+ 11β (N1H)+9ν (ring)+ 7ν (ring)+6β (C5H) |
35ν (ring)+18β (C6H)+ 10β (C5H)+9ν (ring)+ 7ν (C-NH2)+7ν (CO) |
37ν (ring)+18β (C-NH2)+ 10ν (ring) +8β (C-NH2) |
24β (N1H)+15ν (ring)+13ν (ring)+12ν (ring)+ 8α (ring)+7β (C5H)+ 5ν (ring) |
36β (N1H)+17ν (ring)+12ν (ring)+ 9ν (ring) |
43ν (ring)+9ν (ring)+ 7β (C5H)+6ν (ring)+ 6β (N1H) |
| ν26 |
79s (NH2)+11ν (C-NH2) + 5ν (ring) |
54s (NH2)+30ν (C-NH2) |
90s (NH2) |
71s (NH2)+12ν (C-NH2) + 6ν (ring) |
46s (NH2)+21ν (ring)+ 10ν (C-NH2)+ 7ν (ring) |
92s (NH2) |
| ν27 |
39ν (ring)+13ν (ring)+ 11β (C6H)+9ν (ring)+ 7α (ring)+5ν (C-NH2) |
26ν (ring)+22s (NH2)+ 9β (C6H)+8β (C5H)+ 6ν (CO)+6β (N1H)+ 5ν (ring)+5α (ring) |
38ν (ring)+21β (C6H)+ 10ν (ring)+8ν (ring)+ 7α (ring) |
39ν (ring)+10ν (ring)+10β (C6H)+8α (ring)+ 8ν (ring)+7ν (ring) |
25ν (ring)+20β (C-NH2) +19ν (ring)+ 7α (ring) |
28ν (ring)+13β (C5H)+ 13β (C6H)+11α (ring)+ 10ν (ring)+7ν (ring) |
| ν28 |
72ν (CO)+9ν (ring)+ 5α (ring) |
34ν (CO)+16β (N1H)+ 9ν (ring)+8ν (ring)+ 6ν (ring) |
68ν (CO)+11ν (ring)+ 6β (N1H) +5α (ring) |
29ν (ring)+16ν (CS)+ 10β (C5H)+9α (ring)+ 8β (N1H) +8ν (ring) |
35ν (ring)+16ν (CS)+ 13α (ring)+12β (C6H)+ 5β (N1H) |
27ν (ring)+19ν (CS)+ 16α (ring)+8β (CS)+ 6β (C6H)+6ν (ring) |
| ν29 |
86ν (C6H)+ 13ν (C5H) |
62ν (C6H)+38ν (C5H) |
98ν (C6H) |
80ν (C6H)+ 19ν (C5H) |
73ν (C6H)+ 26ν (C5H) |
94ν (C6H)+ 6ν (C5H) |
| ν30 |
87ν (C5H)+12ν (C6H) |
62ν (C5H)+ 37ν (C6H) |
98ν (C5H) |
81ν (C5H)+18ν (C6H) |
73ν (C5H)+ 26ν (C6H) |
93ν (C5H)+ 6ν (C6H) |
| ν31 |
62ν (N9H12) +37ν (N9H13) |
64ν (N9H12)+34ν (N9H13) |
74ν (N9H13)+ 26ν (N9H12) |
57ν (N9H12)+31ν (N9H13) +11ν (N1H) |
57ν (N9H12)+ 34ν (N9H13)+8ν (N1H) |
60ν (N9H12)+ 40ν (N9H13) |
| ν32 |
99ν (N1H) |
98ν (N1H) |
100ν (N1H) |
88ν (N1H)+7ν (N9H12) |
91ν (N1H) |
100ν (N1H) |
| ν33 |
63ν (N9H13)+
37ν (N9H12) |
65ν (N9H13)+ 35ν (N9H12) |
75ν (N9H12)+ 25ν (N9H13) |
64ν (N9H13)+ 35ν (N9H12) |
62ν (N9H12)+ 38ν (N9H13) |
61ν (N9H13)+ 39ν (N9H12) |
$ Same as in Table- 3