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	hartrees
Energy at 0K	-547.465006
Energy at 298.15K	-547.470893
HF Energy	-546.715986
Nuclear repulsion energy	158.054033

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3735	3554	39.52
2	A	3602	3427	20.78
3	A	1651	1571	82.15
4	A	1437	1367	323.39
5	A	1081	1028	77.05
6	A	798	759	5.06
7	A	532	506	85.52
8	A	461	438	4.56
9	A	375	356	149.44
10	B	3735	3554	57.21
11	B	3597	3423	72.85
12	B	1631	1552	199.07
13	B	1428	1359	92.66
14	B	1079	1026	19.54
15	B	649	618	15.69
16	B	591	562	116.72
17	B	408	388	252.96
18	B	404	384	41.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.291
S2	0.000	0.000	1.346
N3	0.000	1.140	-1.056
N4	0.000	-1.140	-1.056
H5	0.196	1.978	-0.536
H6	0.429	1.090	-1.967
H7	-0.196	-1.978	-0.536
H8	-0.429	-1.090	-1.967

	C1	S2	N3	N4	H5	H6	H7	H8
C1		1.6372	1.3732	1.3732	2.0030	2.0448	2.0030	2.0448
S2	1.6372		2.6594	2.6594	2.7379	3.5140	2.7379	3.5140
N3	1.3732	2.6594		2.2802	1.0057	1.0077	3.1675	2.4470
N4	1.3732	2.6594	2.2802		3.1675	2.4470	1.0057	1.0077
H5	2.0030	2.7379	1.0057	3.1675		1.6995	3.9759	3.4429
H6	2.0448	3.5140	1.0077	2.4470	1.6995		3.4429	2.3437
H7	2.0030	2.7379	3.1675	1.0057	3.9759	3.4429		1.6995
H8	2.0448	3.5140	2.4470	1.0077	3.4429	2.3437	1.6995

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	113.804	C1	N3	H6	117.551
C1	N4	H7	113.804	C1	N4	H8	117.551
S2	C1	N3	123.879	S2	C1	N4	123.879
N3	C1	N4	112.241	H5	N3	H6	115.154
H7	N4	H8	115.154

All results from a given calculation for NH₂CSNH₂ (Thiourea)

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for NH₂CSNH₂ (Thiourea)