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	hartrees
Energy at 0K	-492.212056
Energy at 298.15K	-492.215733
HF Energy	-491.617558
Nuclear repulsion energy	94.076115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3483	3322
2	A'	3073	2931
3	A'	2688	2563
4	A'	1627	1552
5	A'	1380	1316
6	A'	1202	1146
7	A'	935	891
8	A'	721	688
9	A'	422	403
10	A"	1049	1001
11	A"	724	690
12	A"	374	356

Atom	x (Å)	y (Å)
N1	1.247	1.039
C2	0.000	0.769
S3	-0.619	-0.876
H4	1.384	2.051
H5	-0.804	1.510
H6	0.597	-1.445

	N1	C2	S3	H4	H5	H6
N1		1.2756	2.6735	1.0205	2.1043	2.5674
C2	1.2756		1.7575	1.8861	1.0936	2.2930
S3	2.6735	1.7575		3.5461	2.3931	1.3428
H4	1.0205	1.8861	3.5461		2.2541	3.5826
H5	2.1043	1.0936	2.3931	2.2541		3.2704
H6	2.5674	2.2930	1.3428	3.5826	3.2704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.844	N1	C2	H5	125.121
C2	N1	H4	109.965	C2	S3	H6	94.451
S3	C2	H5	112.036

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

using model chemistry: QCISD(T)/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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