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	hartrees
Energy at 0K	-492.192505
Energy at 298.15K	-492.196207
HF Energy	-491.622780
Nuclear repulsion energy	94.133189

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3509	3303	2.58
2	A'	3108	2925	23.84
3	A'	2727	2567	0.94
4	A'	1686	1586	128.46
5	A'	1409	1326	24.90
6	A'	1225	1153	27.30
7	A'	944	889	48.07
8	A'	723	680	60.25
9	A'	427	402	18.98
10	A"	1088	1024	3.42
11	A"	743	699	68.75
12	A"	370	348	32.85

Atom	x (Å)	y (Å)
N1	1.237	1.049
C2	0.000	0.773
S3	-0.614	-0.881
H4	1.364	2.058
H5	-0.808	1.505
H6	0.604	-1.443

	N1	C2	S3	H4	H5	H6
N1		1.2672	2.6737	1.0169	2.0948	2.5707
C2	1.2672		1.7642	1.8736	1.0899	2.2964
S3	2.6737	1.7642		3.5421	2.3937	1.3406
H4	1.0169	1.8736	3.5421		2.2408	3.5820
H5	2.0948	1.0899	2.3937	2.2408		3.2679
H6	2.5707	2.2964	1.3406	3.5820	3.2679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.925	N1	C2	H5	125.253
C2	N1	H4	109.740	C2	S3	H6	94.415
S3	C2	H5	111.821

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

using model chemistry: CCSD/cc-pVTZ

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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