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	hartrees
Energy at 0K	-547.274729
Energy at 298.15K	-547.280809
HF Energy	-546.672290
Nuclear repulsion energy	157.475093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3743	3557	21.58
2	A	3616	3437	18.12
3	A	1729	1643	72.18
4	A	1467	1394	352.21
5	A	1112	1057	88.77
6	A	800	761	2.19
7	A	631	599	241.61
8	A	479	455	12.24
9	A	402	382	133.99
10	B	3743	3557	50.01
11	B	3611	3432	61.54
12	B	1706	1621	191.66
13	B	1456	1383	107.05
14	B	1125	1069	14.85
15	B	676	642	226.78
16	B	607	577	149.26
17	B	461	438	155.72
18	B	415	395	1.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.292
S2	0.000	0.000	1.354
N3	0.000	1.140	-1.063
N4	0.000	-1.140	-1.063
H5	0.193	1.984	-0.548
H6	0.445	1.085	-1.968
H7	-0.193	-1.984	-0.548
H8	-0.445	-1.085	-1.968

	C1	S2	N3	N4	H5	H6	H7	H8
C1		1.6460	1.3767	1.3767	2.0095	2.0453	2.0095	2.0453
S2	1.6460		2.6728	2.6728	2.7553	3.5226	2.7553	3.5226
N3	1.3767	2.6728		2.2808	1.0067	1.0094	3.1721	2.4430
N4	1.3767	2.6728	2.2808		3.1721	2.4430	1.0067	1.0094
H5	2.0095	2.7553	1.0067	3.1721		1.6988	3.9862	3.4407
H6	2.0453	3.5226	1.0094	2.4430	1.6988		3.4407	2.3454
H7	2.0095	2.7553	3.1721	1.0067	3.9862	3.4407		1.6988
H8	2.0453	3.5226	2.4430	1.0094	3.4407	2.3454	1.6988

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	114.039	C1	N3	H6	117.163
C1	N4	H7	114.039	C1	N4	H8	117.163
S2	C1	N3	124.074	S2	C1	N4	124.074
N3	C1	N4	111.853	H5	N3	H6	114.825
H7	N4	H8	114.825

All results from a given calculation for NH₂CSNH₂ (Thiourea)

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

All results from a given calculation for NH₂CSNH₂ (Thiourea)