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	hartrees
Energy at 0K	-491.992952
Energy at 298.15K	-491.996661
HF Energy	-491.558062
Nuclear repulsion energy	94.099697

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'	3545	3334	4.17	158.12	0.32	0.48
2	A'	3163	2975	24.61	113.75	0.38	0.55
3	A'	2817	2650	0.56	101.05	0.25	0.40
4	A'	1638	1540	144.12	16.56	0.20	0.33
5	A'	1410	1326	12.57	7.23	0.09	0.17
6	A'	1219	1147	20.44	15.71	0.59	0.74
7	A'	966	909	60.53	5.01	0.42	0.60
8	A'	752	707	75.43	2.28	0.07	0.12
9	A'	438	412	22.02	3.47	0.36	0.53
10	A"	1064	1001	1.35	0.77	0.75	0.86
11	A"	740	696	95.83	1.66	0.75	0.86
12	A"	369	347	37.39	0.20	0.75	0.86

Atom	x (Å)	y (Å)
N1	1.256	1.032
C2	0.000	0.767
S3	-0.623	-0.871
H4	1.391	2.044
H5	-0.800	1.508
H6	0.585	-1.436

	N1	C2	S3	H4	H5	H6
N1		1.2841	2.6749	1.0211	2.1114	2.5577
C2	1.2841		1.7525	1.8884	1.0912	2.2791
S3	2.6749	1.7525		3.5433	2.3862	1.3336
H4	1.0211	1.8884	3.5433		2.2558	3.5722
H5	2.1114	1.0912	2.3862	2.2558		3.2540
H6	2.5577	2.2791	1.3336	3.5722	3.2540

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.748	N1	C2	H5	125.268
C2	N1	H4	109.480	C2	S3	H6	94.227
S3	C2	H5	111.985

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

using model chemistry: MP2/6-31+G**

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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