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	hartrees
Energy at 0K	-492.060089
Energy at 298.15K	-492.063762
HF Energy	-491.558099
Nuclear repulsion energy	93.820058

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3515	3515
2	A'	3132	3132
3	A'	2766	2766
4	A'	1645	1645
5	A'	1410	1410
6	A'	1223	1223
7	A'	964	964
8	A'	735	735
9	A'	433	433
10	A"	1055	1055
11	A"	729	729
12	A"	352	352

Atom	x (Å)	y (Å)
N1	1.255	1.040
C2	0.000	0.771
S3	-0.623	-0.877
H4	1.390	2.052
H5	-0.802	1.513
H6	0.589	-1.441

	N1	C2	S3	H4	H5	H6
N1		1.2837	2.6836	1.0213	2.1107	2.5690
C2	1.2837		1.7621	1.8905	1.0919	2.2897
S3	2.6836	1.7621		3.5544	2.3963	1.3368
H4	1.0213	1.8905	3.5544		2.2577	3.5842
H5	2.1107	1.0919	2.3963	2.2577		3.2649
H6	2.5690	2.2897	1.3368	3.5842	3.2649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.771	N1	C2	H5	125.174
C2	N1	H4	109.679	C2	S3	H6	94.271
S3	C2	H5	112.055

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

using model chemistry: QCISD(T)=FULL/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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