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	hartrees
Energy at 0K	-547.238656
Energy at 298.15K
HF Energy	-546.636114
Nuclear repulsion energy	157.312734

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.299
S2	0.000	0.000	1.352
N3	0.000	1.146	-1.058
N4	0.000	-1.146	-1.058
H5	0.174	1.994	-0.542
H6	0.429	1.106	-1.972
H7	-0.174	-1.994	-0.542
H8	-0.429	-1.106	-1.972

	C1	S2	N3	N4	H5	H6	H7	H8
C1		1.6509	1.3747	1.3747	2.0165	2.0509	2.0165	2.0509
S2	1.6509		2.6689	2.6689	2.7558	3.5293	2.7558	3.5293
N3	1.3747	2.6689		2.2918	1.0082	1.0102	3.1870	2.4675
N4	1.3747	2.6689	2.2918		3.1870	2.4675	1.0082	1.0102
H5	2.0165	2.7558	1.0082	3.1870		1.7027	4.0035	3.4667
H6	2.0509	3.5293	1.0102	2.4675	1.7027		3.4667	2.3720
H7	2.0165	2.7558	3.1870	1.0082	4.0035	3.4667		1.7027
H8	2.0509	3.5293	2.4675	1.0102	3.4667	2.3720	1.7027

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	114.732	C1	N3	H6	117.808
C1	N4	H7	114.732	C1	N4	H8	117.808
S2	C1	N3	123.536	S2	C1	N4	123.536
N3	C1	N4	112.929	H5	N3	H6	115.042
H7	N4	H8	115.042

All results from a given calculation for NH₂CSNH₂ (Thiourea)

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

All results from a given calculation for NH₂CSNH₂ (Thiourea)