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	hartrees
Energy at 0K	-492.210062
Energy at 298.15K	-492.213716
HF Energy	-491.641029
Nuclear repulsion energy	94.661157

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3762	3595	53.86
2	A'	3621	3460	82.79
3	A'	3139	2999	19.15
4	A'	1660	1586	184.70
5	A'	1485	1419	185.74
6	A'	1325	1266	165.09
7	A'	1152	1101	24.27
8	A'	893	853	16.13
9	A'	434	415	1.89
10	A"	985	941	24.15
11	A"	629	601	3.25
12	A"	297	284	185.12

Atom	x (Å)	y (Å)
C1	0.000	0.640
S2	-0.776	-0.807
N3	1.328	0.821
H4	-0.552	1.577
H5	1.933	0.019
H6	1.729	1.739

	C1	S2	N3	H4	H5	H6
C1		1.6418	1.3405	1.0877	2.0302	2.0492
S2	1.6418		2.6603	2.3950	2.8320	3.5719
N3	1.3405	2.6603		2.0261	1.0042	1.0019
H4	1.0877	2.3950	2.0261		2.9326	2.2865
H5	2.0302	2.8320	1.0042	2.9326		1.7317
H6	2.0492	3.5719	1.0019	2.2865	1.7317

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.269	C1	N3	H6	121.371
S2	C1	N3	125.963	S2	C1	H4	121.342
H5	N3	H6	119.360

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: QCISD/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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All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: QCISD/cc-pVTZ

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)