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	hartrees
Energy at 0K	-492.863781
Energy at 298.15K	-492.867488
HF Energy	-492.863781
Nuclear repulsion energy	94.217841

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3697	3558	42.58
2	A'	3553	3419	43.72
3	A'	3114	2998	30.98
4	A'	1651	1589	179.13
5	A'	1463	1408	175.60
6	A'	1319	1270	143.62
7	A'	1142	1099	20.54
8	A'	883	850	15.39
9	A'	429	412	1.84
10	A"	958	922	36.83
11	A"	622	599	3.26
12	A"	372	358	215.70

Atom	x (Å)	y (Å)
C1	0.000	0.642
S2	-0.781	-0.809
N3	1.336	0.820
H4	-0.549	1.587
H5	1.947	0.014
H6	1.747	1.743

	C1	S2	N3	H4	H5	H6
C1		1.6476	1.3474	1.0928	2.0461	2.0655
S2	1.6476		2.6709	2.4066	2.8495	3.5924
N3	1.3474	2.6709		2.0347	1.0124	1.0106
H4	1.0928	2.4066	2.0347		2.9509	2.3022
H5	2.0461	2.8495	1.0124	2.9509		1.7409
H6	2.0655	3.5924	1.0106	2.3022	1.7409

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.571	C1	N3	H6	121.665
S2	C1	N3	125.902	S2	C1	H4	121.529
H5	N3	H6	118.765

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: TPSSh/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	-0.100
2	S	-0.301
3	N	-0.420
4	H	0.173
5	H	0.333
6	H	0.316

	x	y	z	Total
	3.330	3.176	0.000	4.602
CHELPG
AIM
ESP

	x	y	z
x	7.322	2.150	0.000
y	2.150	7.520	0.000
z	0.000	0.000	3.735

<r²>	67.839
(<r²>)^1/2	8.236

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: TPSSh/6-31+G**

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)