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	hartrees
Energy at 0K	-492.061459
Energy at 298.15K	-492.065020
HF Energy	-491.595870
Nuclear repulsion energy	94.332413

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3795	3569	57.60
2	A'	3649	3431	91.00
3	A'	3167	2978	25.03
4	A'	1660	1561	253.29
5	A'	1507	1417	179.01
6	A'	1339	1259	148.98
7	A'	1161	1091	19.70
8	A'	922	867	12.02
9	A'	442	415	1.85
10	A"	986	927	24.98
11	A"	633	595	3.21
12	A"	217	204	198.10

Atom	x (Å)	y (Å)
C1	0.000	0.639
S2	-0.780	-0.807
N3	1.334	0.819
H4	-0.550	1.593
H5	1.941	0.010
H6	1.742	1.743

	C1	S2	N3	H4	H5	H6
C1		1.6434	1.3464	1.1009	2.0409	2.0620
S2	1.6434		2.6674	2.4114	2.8410	3.5863
N3	1.3464	2.6674		2.0369	1.0119	1.0094
H4	1.1009	2.4114	2.0369		2.9519	2.2966
H5	2.0409	2.8410	1.0119	2.9519		1.7445
H6	2.0620	3.5863	1.0094	2.2966	1.7445

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.182	C1	N3	H6	121.491
S2	C1	N3	126.000	S2	C1	H4	121.716
H5	N3	H6	119.327

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: MP3=FULL/cc-pVDZ

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: MP3=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)