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	hartrees
Energy at 0K	-544.369364
Energy at 298.15K	-544.375107
HF Energy	-543.951651
Nuclear repulsion energy	156.285930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3695	3515	28.22
2	A₁	3554	3381	33.67
3	A₁	1743	1658	70.22
4	A₁	1437	1367	359.17
5	A₁	1073	1020	101.52
6	A₁	771	734	16.13
7	A₁	472	449	1.52
8	A₂	517	492	0.00
9	A₂	214	203	0.00
10	B₁	666	633	60.21
11	B₁	639	608	130.23
12	B₁	444	422	540.04
13	B₂	3693	3513	75.20
14	B₂	3545	3372	88.88
15	B₂	1705	1622	174.34
16	B₂	1458	1387	183.79
17	B₂	1067	1015	14.81
18	B₂	413	393	1.80

Atom	y (Å)	z (Å)
C1	0.000	-0.318
S2	0.000	1.361
N3	1.158	-1.048
N4	-1.158	-1.048
H5	2.033	-0.540
H6	1.175	-2.061
H7	-2.033	-0.540
H8	-1.175	-2.061

	C1	S2	N3	N4	H5	H6	H7	H8
C1		1.6788	1.3686	1.3686	2.0451	2.1019	2.0451	2.1019
S2	1.6788		2.6723	2.6723	2.7835	3.6177	2.7835	3.6177
N3	1.3686	2.6723		2.3158	1.0114	1.0133	3.2309	2.5433
N4	1.3686	2.6723	2.3158		3.2309	2.5433	1.0114	1.0133
H5	2.0451	2.7835	1.0114	3.2309		1.7457	4.0658	3.5499
H6	2.1019	3.6177	1.0133	2.5433	1.7457		3.5499	2.3499
H7	2.0451	2.7835	3.2309	1.0114	4.0658	3.5499		1.7457
H8	2.1019	3.6177	2.5433	1.0133	3.5499	2.3499	1.7457

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	117.686	C1	N3	H6	123.183
C1	N4	H7	117.686	C1	N4	H8	123.183
S2	C1	N3	122.218	S2	C1	N4	122.218
N3	C1	N4	115.565	H5	N3	H6	119.131
H7	N4	H8	119.131

All results from a given calculation for NH₂CSNH₂ (Thiourea)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for NH₂CSNH₂ (Thiourea)