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	hartrees
Energy at 0K	-547.322716
Energy at 298.15K	-547.328757
HF Energy	-546.693651
Nuclear repulsion energy	157.421102

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3727	3533	27.87
2	A	3597	3410	18.74
3	A	1667	1580	80.43
4	A	1441	1366	316.59
5	A	1090	1033	87.04
6	A	795	754	2.07
7	A	633	600	207.26
8	A	471	446	4.15
9	A	394	373	121.93
10	B	3727	3532	53.39
11	B	3593	3405	62.97
12	B	1646	1560	190.10
13	B	1423	1349	104.41
14	B	1094	1037	19.75
15	B	655	621	205.96
16	B	591	560	110.47
17	B	457	433	148.44
18	B	409	388	1.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.302
S2	0.000	0.000	1.352
N3	0.000	1.145	-1.059
N4	0.000	-1.145	-1.059
H5	0.194	1.983	-0.536
H6	0.450	1.096	-1.961
H7	-0.194	-1.983	-0.536
H8	-0.450	-1.096	-1.961

	C1	S2	N3	N4	H5	H6	H7	H8
C1		1.6544	1.3722	1.3722	2.0062	2.0391	2.0062	2.0391
S2	1.6544		2.6692	2.6692	2.7451	3.5193	2.7451	3.5193
N3	1.3722	2.6692		2.2892	1.0072	1.0096	3.1771	2.4574
N4	1.3722	2.6692	2.2892		3.1771	2.4574	1.0072	1.0096
H5	2.0062	2.7451	1.0072	3.1771		1.6983	3.9852	3.4540
H6	2.0391	3.5193	1.0096	2.4574	1.6983		3.4540	2.3703
H7	2.0062	2.7451	3.1771	1.0072	3.9852	3.4540		1.6983
H8	2.0391	3.5193	2.4574	1.0096	3.4540	2.3703	1.6983

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	114.074	C1	N3	H6	116.944
C1	N4	H7	114.074	C1	N4	H8	116.944
S2	C1	N3	123.476	S2	C1	N4	123.476
N3	C1	N4	113.049	H5	N3	H6	114.719
H7	N4	H8	114.719

All results from a given calculation for NH₂CSNH₂ (Thiourea)

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

All results from a given calculation for NH₂CSNH₂ (Thiourea)