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	hartrees
Energy at 0K	-492.606104
Energy at 298.15K	-492.609773
HF Energy	-492.606104
Nuclear repulsion energy	93.957116

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3600	3560	31.23
2	A'	3463	3425	26.98
3	A'	3012	2979	33.22
4	A'	1585	1567	174.80
5	A'	1415	1400	155.15
6	A'	1284	1270	85.52
7	A'	1108	1096	16.07
8	A'	861	851	10.91
9	A'	420	415	2.01
10	A"	916	905	34.89
11	A"	615	608	3.82
12	A"	363	359	186.58

Atom	x (Å)	y (Å)
C1	0.000	0.644
S2	-0.781	-0.813
N3	1.336	0.827
H4	-0.555	1.594
H5	1.949	0.015
H6	1.747	1.755

	C1	S2	N3	H4	H5	H6
C1		1.6531	1.3482	1.1002	2.0480	2.0705
S2	1.6531		2.6774	2.4177	2.8525	3.6035
N3	1.3482	2.6774		2.0405	1.0173	1.0153
H4	1.1002	2.4177	2.0405		2.9602	2.3078
H5	2.0480	2.8525	1.0173	2.9602		1.7515
H6	2.0705	3.6035	1.0153	2.3078	1.7515

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.279	C1	N3	H6	121.697
S2	C1	N3	125.971	S2	C1	H4	121.527
H5	N3	H6	119.024

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: PBEPBE/TZVP

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	-0.115
2	S	-0.199
3	N	-0.287
4	H	0.130
5	H	0.237
6	H	0.234

	x	y	z	Total
	3.219	2.969	0.000	4.379
CHELPG
AIM
ESP

	x	y	z
x	7.099	2.294	0.000
y	2.294	7.416	0.000
z	0.000	0.000	3.292

<r²>	68.019
(<r²>)^1/2	8.247

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: PBEPBE/TZVP

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)