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	hartrees
Energy at 0K	-492.249463
Energy at 298.15K	-492.253163
HF Energy	-491.641173
Nuclear repulsion energy	95.100901

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'	3762	3572	62.03	80.49	0.59	0.74
2	A'	3618	3435	85.32	162.50	0.14	0.24
3	A'	3157	2997	22.44	121.05	0.33	0.49
4	A'	1655	1571	199.57	3.74	0.75	0.86
5	A'	1490	1415	183.43	0.87	0.48	0.64
6	A'	1333	1266	125.14	3.99	0.74	0.85
7	A'	1153	1094	14.22	17.09	0.31	0.47
8	A'	915	869	5.37	29.95	0.21	0.35
9	A'	438	416	1.61	4.31	0.62	0.76
10	A"	986	936	29.09	0.99	0.75	0.86
11	A"	640	608	2.96	0.78	0.75	0.86
12	A"	323	307	180.16	0.16	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.635
S2	-0.776	-0.798
N3	1.328	0.809
H4	-0.540	1.573
H5	1.925	0.001
H6	1.735	1.724

	C1	S2	N3	H4	H5	H6
C1		1.6294	1.3388	1.0831	2.0263	2.0480
S2	1.6294		2.6466	2.3831	2.8163	3.5581
N3	1.3388	2.6466		2.0186	1.0041	1.0016
H4	1.0831	2.3831	2.0186		2.9239	2.2800
H5	2.0263	2.8163	1.0041	2.9239		1.7328
H6	2.0480	3.5581	1.0016	2.2800	1.7328

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.047	C1	N3	H6	121.432
S2	C1	N3	125.880	S2	C1	H4	121.634
H5	N3	H6	119.522

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: MP2=FULL/cc-pVTZ

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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All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)