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	hartrees
Energy at 0K	-492.806820
Energy at 298.15K	-492.810590
HF Energy	-492.806820
Nuclear repulsion energy	94.546120

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3768	3588	60.24	77.15	0.60	0.75
2	A'	3622	3449	71.85	164.85	0.11	0.20
3	A'	3144	2994	21.76	132.27	0.36	0.53
4	A'	1662	1583	222.49	3.66	0.63	0.77
5	A'	1482	1411	199.74	2.27	0.13	0.23
6	A'	1335	1271	150.35	5.49	0.57	0.72
7	A'	1160	1104	27.34	10.69	0.14	0.25
8	A'	900	857	21.12	17.78	0.14	0.25
9	A'	443	422	1.62	4.39	0.52	0.69
10	A"	974	928	32.86	3.32	0.75	0.86
11	A"	626	596	7.01	0.31	0.75	0.86
12	A"	408	389	229.12	0.17	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.639
S2	-0.777	-0.807
N3	1.330	0.820
H4	-0.556	1.580
H5	1.941	0.016
H6	1.737	1.741

	C1	S2	N3	H4	H5	H6
C1		1.6418	1.3417	1.0924	2.0384	2.0571
S2	1.6418		2.6614	2.3972	2.8392	3.5795
N3	1.3417	2.6614		2.0327	1.0099	1.0074
H4	1.0924	2.3972	2.0327		2.9459	2.2985
H5	2.0384	2.8392	1.0099	2.9459		1.7372
H6	2.0571	3.5795	1.0074	2.2985	1.7372

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.508	C1	N3	H6	121.599
S2	C1	N3	125.966	S2	C1	H4	121.187
H5	N3	H6	118.893

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: wB97X-D/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.070
2	S	-0.302
3	N	-0.470
4	H	0.177
5	H	0.342
6	H	0.324

	x	y	z	Total
	3.339	3.295	0.000	4.691
CHELPG
AIM
ESP

	x	y	z
x	7.100	2.089	0.000
y	2.089	7.361	0.000
z	0.000	0.000	3.716

<r²>	67.435
(<r²>)^1/2	8.212

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: wB97X-D/6-31+G**

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)