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	hartrees
Energy at 0K	-492.108702
Energy at 298.15K	-492.112460
HF Energy	-491.619315
Nuclear repulsion energy	94.894811

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3639	3362	11.40
2	A'	3180	2938	17.81
3	A'	2812	2598	3.03
4	A'	1755	1622	170.63
5	A'	1450	1340	24.31
6	A'	1249	1154	23.80
7	A'	980	906	56.35
8	A'	754	697	65.59
9	A'	441	408	21.45
10	A"	1128	1042	3.13
11	A"	767	708	75.99
12	A"	379	350	30.58

Atom	x (Å)	y (Å)
N1	1.223	1.046
C2	0.000	0.764
S3	-0.607	-0.875
H4	1.361	2.046
H5	-0.803	1.494
H6	0.592	-1.450

	N1	C2	S3	H4	H5	H6
N1		1.2554	2.6532	1.0093	2.0748	2.5751
C2	1.2554		1.7475	1.8696	1.0851	2.2922
S3	2.6532	1.7475		3.5218	2.3771	1.3301
H4	1.0093	1.8696	3.5218		2.2327	3.5799
H5	2.0748	1.0851	2.3771	2.2327		3.2583
H6	2.5751	2.2922	1.3301	3.5799	3.2583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	123.316	N1	C2	H5	124.711
C2	N1	H4	110.829	C2	S3	H6	95.319
S3	C2	H5	111.974

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

using model chemistry: CID/6-311+G(3df,2p)

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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