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	hartrees
Energy at 0K	-492.379678
Energy at 298.15K	-492.383336
HF Energy	-491.639385
Nuclear repulsion energy	95.121093

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'	3754	3754	63.40	76.66	0.58	0.74
2	A'	3603	3603	83.93	169.15	0.13	0.23
3	A'	3136	3136	22.39	130.06	0.31	0.47
4	A'	1640	1640	201.70	3.15	0.75	0.86
5	A'	1483	1483	171.19	1.28	0.41	0.58
6	A'	1324	1324	144.29	4.37	0.74	0.85
7	A'	1154	1154	13.75	16.74	0.26	0.41
8	A'	916	916	4.69	29.63	0.22	0.36
9	A'	438	438	1.37	4.18	0.56	0.72
10	A"	973	973	30.42	1.35	0.75	0.86
11	A"	633	633	1.66	0.57	0.75	0.86
12	A"	299	299	183.84	0.14	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.633
S2	-0.778	-0.795
N3	1.331	0.804
H4	-0.539	1.576
H5	1.928	-0.004
H6	1.740	1.719

	C1	S2	N3	H4	H5	H6
C1		1.6254	1.3418	1.0862	2.0303	2.0513
S2	1.6254		2.6461	2.3823	2.8186	3.5577
N3	1.3418	2.6461		2.0227	1.0049	1.0023
H4	1.0862	2.3823	2.0227		2.9293	2.2834
H5	2.0303	2.8186	1.0049	2.9293		1.7335
H6	2.0513	3.5577	1.0023	2.2834	1.7335

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.109	C1	N3	H6	121.435
S2	C1	N3	125.928	S2	C1	H4	121.665
H5	N3	H6	119.456

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: MP2=FULL/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)