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	hartrees
Energy at 0K	-492.109527
Energy at 298.15K	-492.113215
HF Energy	-491.567261
Nuclear repulsion energy	94.007515

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3525	3339	2.18
2	A'	3126	2962	22.52
3	A'	2743	2599	1.28
4	A'	1688	1599	121.24
5	A'	1405	1331	24.73
6	A'	1221	1157	31.26
7	A'	943	894	46.23
8	A'	724	686	61.86
9	A'	425	403	19.21
10	A"	1086	1029	4.96
11	A"	743	704	64.22
12	A"	368	349	33.91

Atom	x (Å)	y (Å)
N1	1.242	1.044
C2	0.000	0.776
S3	-0.616	-0.880
H4	1.374	2.055
H5	-0.813	1.507
H6	0.600	-1.445

	N1	C2	S3	H4	H5	H6
N1		1.2702	2.6742	1.0193	2.1056	2.5707
C2	1.2702		1.7667	1.8771	1.0928	2.3011
S3	2.6742	1.7667		3.5457	2.3946	1.3412
H4	1.0193	1.8771	3.5457		2.2544	3.5846
H5	2.1056	1.0928	2.3946	2.2544		3.2727
H6	2.5707	2.3011	1.3412	3.5846	3.2727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.582	N1	C2	H5	125.857
C2	N1	H4	109.656	C2	S3	H6	94.539
S3	C2	H5	111.561

All results from a given calculation for NHCHSH (Methanimidothioic acid)

using model chemistry: QCISD/6-31G(2df,p)

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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