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	hartrees
Energy at 0K	-489.345401
Energy at 298.15K	-489.348946
HF Energy	-489.049356
Nuclear repulsion energy	90.924071

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3271	3172
2	A'	3068	2976
3	A'	2408	2335
4	A'	1582	1534
5	A'	1359	1318
6	A'	1170	1134
7	A'	895	868
8	A'	597	579
9	A'	400	388
10	A"	1068	1036
11	A"	728	706
12	A"	344	334

Atom	x (Å)	y (Å)
N1	1.262	1.076
C2	0.000	0.840
S3	-0.633	-0.921
H4	1.497	2.088
H5	-0.841	1.541
H6	0.636	-1.461

	N1	C2	S3	H4	H5	H6
N1		1.2844	2.7536	1.0386	2.1542	2.6134
C2	1.2844		1.8711	1.9491	1.0950	2.3872
S3	2.7536	1.8711		3.6866	2.4707	1.3797
H4	1.0386	1.9491	3.6866		2.4011	3.6518
H5	2.1542	1.0950	2.4707	2.4011		3.3458
H6	2.6134	2.3872	1.3797	3.6518	3.3458

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	120.387	N1	C2	H5	129.572
C2	N1	H4	113.660	C2	S3	H6	93.267
S3	C2	H5	110.041

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

using model chemistry: MP4/3-21G

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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