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	hartrees
Energy at 0K	-547.467133
Energy at 298.15K
Nuclear repulsion energy	157.957535

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.303
S2	0.000	0.000	1.346
N3	0.000	1.144	-1.051
N4	0.000	-1.144	-1.051
H5	0.188	1.981	-0.527
H6	0.397	1.106	-1.975
H7	-0.188	-1.981	-0.527
H8	-0.397	-1.106	-1.975

	C1	S2	N3	N4	H5	H6	H7	H8
C1		1.6485	1.3665	1.3665	2.0026	2.0436	2.0026	2.0436
S2	1.6485		2.6551	2.6551	2.7327	3.5225	2.7327	3.5225
N3	1.3665	2.6551		2.2878	1.0051	1.0070	3.1742	2.4644
N4	1.3665	2.6551	2.2878		3.1742	2.4644	1.0051	1.0070
H5	2.0026	2.7327	1.0051	3.1742		1.7050	3.9801	3.4594
H6	2.0436	3.5225	1.0070	2.4644	1.7050		3.4594	2.3494
H7	2.0026	2.7327	3.1742	1.0051	3.9801	3.4594		1.7050
H8	2.0436	3.5225	2.4644	1.0070	3.4594	2.3494	1.7050

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	114.358	C1	N3	H6	118.073
C1	N4	H7	114.358	C1	N4	H8	118.073
S2	C1	N3	123.165	S2	C1	N4	123.165
N3	C1	N4	113.669	H5	N3	H6	115.853
H7	N4	H8	115.853

All results from a given calculation for NH₂CSNH₂ (Thiourea)

using model chemistry: MP2/cc-pV(T+d)Z

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: MP2/cc-pV(T+d)Z

States and conformations

All results from a given calculation for NH₂CSNH₂ (Thiourea)