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	hartrees
Energy at 0K	-490.392353
Energy at 298.15K	-490.396293
HF Energy	-490.392353
Nuclear repulsion energy	94.388605

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3660	3466	57.22
2	A'	3527	3341	88.64
3	A'	3131	2966	16.36
4	A'	1690	1601	157.57
5	A'	1498	1419	175.77
6	A'	1344	1273	182.40
7	A'	1185	1122	22.05
8	A'	900	853	19.99
9	A'	444	420	2.23
10	A"	1001	948	23.13
11	A"	722	684	202.83
12	A"	554	525	143.39

Atom	x (Å)	y (Å)
C1	0.000	0.638
S2	-0.781	-0.804
N3	1.336	0.816
H4	-0.551	1.580
H5	1.945	0.001
H6	1.756	1.740

	C1	S2	N3	H4	H5	H6
C1		1.6401	1.3474	1.0909	2.0468	2.0728
S2	1.6401		2.6654	2.3945	2.8425	3.5927
N3	1.3474	2.6654		2.0357	1.0176	1.0152
H4	1.0909	2.3945	2.0357		2.9536	2.3125
H5	2.0468	2.8425	1.0176	2.9536		1.7495
H6	2.0728	3.5927	1.0152	2.3125	1.7495

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.213	C1	N3	H6	122.010
S2	C1	N3	126.018	S2	C1	H4	121.198
H5	N3	H6	118.777

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: M06-2X/3-21G*

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	-0.075
2	S	-0.133
3	N	-0.726
4	H	0.237
5	H	0.355
6	H	0.342

	x	y	z	Total
	3.372	3.226	0.000	4.667
CHELPG
AIM
ESP

	x	y	z
x	5.672	2.157	0.000
y	2.157	6.071	0.000
z	0.000	0.000	1.929

<r²>	67.258
(<r²>)^1/2	8.201

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: M06-2X/3-21G*

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)