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	hartrees
Energy at 0K	-547.130184
Energy at 298.15K	-547.136127
HF Energy	-546.615956
Nuclear repulsion energy	157.952345

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3829	3537	38.55
2	A	3707	3424	30.97
3	A	1756	1622	103.61
4	A	1502	1387	370.33
5	A	1131	1045	79.40
6	A	805	744	16.16
7	A	543	501	48.86
8	A	487	450	11.16
9	A	355	328	199.04
10	B	3829	3536	71.50
11	B	3699	3417	87.09
12	B	1733	1601	249.45
13	B	1521	1405	115.82
14	B	1139	1052	11.93
15	B	674	622	38.71
16	B	620	573	158.42
17	B	422	390	8.06
18	B	412	380	393.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.312
S2	0.000	0.000	1.350
N3	-0.089	1.135	-1.048
N4	0.089	-1.135	-1.048
H5	0.000	1.995	-0.538
H6	0.263	1.142	-1.991
H7	0.000	-1.995	-0.538
H8	-0.263	-1.142	-1.991

	C1	S2	N3	N4	H5	H6	H7	H8
C1		1.6624	1.3558	1.3558	2.0077	2.0471	2.0077	2.0471
S2	1.6624		2.6553	2.6553	2.7472	3.5405	2.7472	3.5405
N3	1.3558	2.6553		2.2766	1.0040	1.0058	3.1722	2.4698
N4	1.3558	2.6553	2.2766		3.1722	2.4698	1.0040	1.0058
H5	2.0077	2.7472	1.0040	3.1722		1.7048	3.9897	3.4664
H6	2.0471	3.5405	1.0058	2.4698	1.7048		3.4664	2.3431
H7	2.0077	2.7472	3.1722	1.0040	3.9897	3.4664		1.7048
H8	2.0471	3.5405	2.4698	1.0058	3.4664	2.3431	1.7048

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	115.793	C1	N3	H6	119.445
C1	N4	H7	115.793	C1	N4	H8	119.445
S2	C1	N3	122.908	S2	C1	N4	122.908
N3	C1	N4	114.185	H5	N3	H6	116.048
H7	N4	H8	116.048

All results from a given calculation for NH₂CSNH₂ (Thiourea)

using model chemistry: CID/6-31G*

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 NH2CSNH2 (Thiourea)

using model chemistry: CID/6-31G*

States and conformations

All results from a given calculation for NH₂CSNH₂ (Thiourea)