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	hartrees
Energy at 0K	-492.390679
Energy at 298.15K	-492.394397
HF Energy	-491.618858
Nuclear repulsion energy	94.626956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3571	3571	8.01
2	A'	3139	3139	16.95
3	A'	2741	2741	2.77
4	A'	1709	1709	150.92
5	A'	1418	1418	20.98
6	A'	1224	1224	23.67
7	A'	955	955	53.72
8	A'	737	737	64.38
9	A'	433	433	20.66
10	A"	1093	1093	2.69
11	A"	747	747	76.20
12	A"	374	374	28.17

Atom	x (Å)	y (Å)
N1	1.231	1.044
C2	0.000	0.765
S3	-0.611	-0.875
H4	1.368	2.048
H5	-0.804	1.499
H6	0.598	-1.444

	N1	C2	S3	H4	H5	H6
N1		1.2621	2.6597	1.0138	2.0848	2.5668
C2	1.2621		1.7502	1.8755	1.0881	2.2887
S3	2.6597	1.7502		3.5300	2.3814	1.3365
H4	1.0138	1.8755	3.5300		2.2400	3.5759
H5	2.0848	1.0881	2.3814	2.2400		3.2595
H6	2.5668	2.2887	1.3365	3.5759	3.2595

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	123.184	N1	C2	H5	124.861
C2	N1	H4	110.517	C2	S3	H6	94.765
S3	C2	H5	111.956

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

using model chemistry: MP3=FULL/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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