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	hartrees
Energy at 0K	-159.297605
Energy at 298.15K	-159.303094
HF Energy	-158.957172
Nuclear repulsion energy	101.302269

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3755	3616	33.89
2	A₁	3600	3467	34.03
3	A₁	1725	1661	80.42
4	A₁	1423	1371	376.12
5	A₁	1046	1007	121.46
6	A₁	720	693	18.93
7	A₁	452	435	1.33
8	A₂	482	464	0.00
9	A₂	170	164	0.00
10	B₁	609	587	116.99
11	B₁	577	556	96.27
12	B₁	434	418	567.39
13	B₂	3753	3614	57.75
14	B₂	3594	3462	97.29
15	B₂	1687	1625	188.47
16	B₂	1446	1392	254.74
17	B₂	1066	1026	14.55
18	B₂	379	365	0.73

Atom	y (Å)	z (Å)
C1	0.000	0.138
S2	0.000	1.871
N3	1.169	-0.612
N4	-1.169	-0.612
H5	2.053	-0.116
H6	1.178	-1.628
H7	-2.053	-0.116
H8	-1.178	-1.628

	C1	S2	N3	N4	H5	H6	H7	H8
C1		1.7323	1.3895	1.3895	2.0689	2.1230	2.0689	2.1230
S2	1.7323		2.7444	2.7444	2.8568	3.6914	2.8568	3.6914
N3	1.3895	2.7444		2.3388	1.0137	1.0156	3.2606	2.5579
N4	1.3895	2.7444	2.3388		3.2606	2.5579	1.0137	1.0156
H5	2.0689	2.8568	1.0137	3.2606		1.7469	4.1064	3.5677
H6	2.1230	3.6914	1.0156	2.5579	1.7469		3.5677	2.3566
H7	2.0689	2.8568	3.2606	1.0137	4.1064	3.5677		1.7469
H8	2.1230	3.6914	2.5579	1.0156	3.5677	2.3566	1.7469

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	117.987	C1	N3	H6	123.193
C1	N4	H7	117.987	C1	N4	H8	123.193
S2	C1	N3	122.691	S2	C1	N4	122.691
N3	C1	N4	114.618	H5	N3	H6	118.820
H7	N4	H8	118.820

All results from a given calculation for NH₂CSNH₂ (Thiourea)

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

All results from a given calculation for NH₂CSNH₂ (Thiourea)