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	hartrees
Energy at 0K	-492.650119
Energy at 298.15K	-492.653875
HF Energy	-492.650119
Nuclear repulsion energy	95.082002

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'	3737	3737	49.88	92.72	0.57	0.72
2	A'	3598	3598	53.61	199.11	0.11	0.21
3	A'	3100	3100	22.00	143.96	0.32	0.48
4	A'	1640	1640	210.07	3.54	0.59	0.74
5	A'	1471	1471	192.26	3.32	0.22	0.36
6	A'	1328	1328	101.00	4.96	0.62	0.77
7	A'	1145	1145	21.88	10.35	0.16	0.28
8	A'	904	904	15.67	17.43	0.11	0.20
9	A'	436	436	2.10	2.77	0.34	0.50
10	A"	970	970	27.73	1.50	0.75	0.86
11	A"	638	638	4.06	0.07	0.75	0.86
12	A"	388	388	173.45	0.01	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.634
S2	-0.772	-0.802
N3	1.322	0.814
H4	-0.553	1.575
H5	1.930	0.011
H6	1.728	1.733

	C1	S2	N3	H4	H5	H6
C1		1.6303	1.3344	1.0917	2.0279	2.0481
S2	1.6303		2.6454	2.3869	2.8218	3.5607
N3	1.3344	2.6454		2.0239	1.0071	1.0048
H4	1.0917	2.3869	2.0239		2.9346	2.2867
H5	2.0279	2.8218	1.0071	2.9346		1.7341
H6	2.0481	3.5607	1.0048	2.2867	1.7341

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.354	C1	N3	H6	121.579
S2	C1	N3	126.036	S2	C1	H4	121.272
H5	N3	H6	119.066

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: PBE1PBE/6-311+G(3df,2p)

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	0.380
2	S	-0.289
3	N	-0.562
4	H	0.145
5	H	0.169
6	H	0.157

	x	y	z	Total
	3.177	3.044	0.000	4.400
CHELPG
AIM
ESP

	x	y	z
x	7.922	1.840	0.000
y	1.840	7.813	0.000
z	0.000	0.000	4.726

<r²>	66.826
(<r²>)^1/2	8.175

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: PBE1PBE/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)