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	hartrees
Energy at 0K	-492.099426
Energy at 298.15K	-492.103128
HF Energy	-491.607391
Nuclear repulsion energy	94.162291

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3773	3773	53.82
2	A'	3628	3628	88.19
3	A'	3171	3171	15.19
4	A'	1671	1671	215.88
5	A'	1489	1489	233.60
6	A'	1321	1321	193.39
7	A'	1159	1159	26.88
8	A'	911	911	16.47
9	A'	436	436	1.69
10	A"	975	975	32.26
11	A"	622	622	1.93
12	A"	336	336	181.46

Atom	x (Å)	y (Å)
C1	0.000	0.642
S2	-0.781	-0.810
N3	1.337	0.822
H4	-0.556	1.588
H5	1.947	0.017
H6	1.740	1.746

	C1	S2	N3	H4	H5	H6
C1		1.6482	1.3492	1.0977	2.0447	2.0610
S2	1.6482		2.6736	2.4088	2.8499	3.5898
N3	1.3492	2.6736		2.0420	1.0102	1.0080
H4	1.0977	2.4088	2.0420		2.9551	2.3012
H5	2.0447	2.8499	1.0102	2.9551		1.7417
H6	2.0610	3.5898	1.0080	2.3012	1.7417

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.443	C1	N3	H6	121.249
S2	C1	N3	125.950	S2	C1	H4	121.320
H5	N3	H6	119.307

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: MP3=FULL/aug-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/aug-cc-pVDZ

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)