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	hartrees
Energy at 0K	-547.247100
Energy at 298.15K	-547.253056
HF Energy	-546.630496
Nuclear repulsion energy	157.639161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3795	3546	31.01
2	A	3657	3417	21.23
3	A	1701	1589	83.91
4	A	1466	1370	341.84
5	A	1106	1033	70.01
6	A	803	750	4.93
7	A	556	520	132.41
8	A	474	443	9.26
9	A	384	359	164.53
10	B	3795	3546	57.27
11	B	3652	3413	73.38
12	B	1679	1569	202.97
13	B	1464	1368	98.24
14	B	1105	1033	13.65
15	B	649	606	65.25
16	B	604	564	177.99
17	B	424	397	275.27
18	B	414	387	3.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.301
S2	0.000	0.000	1.351
N3	-0.099	1.138	-1.056
N4	0.099	-1.138	-1.056
H5	0.000	1.995	-0.539
H6	0.323	1.135	-1.971
H7	0.000	-1.995	-0.539
H8	-0.323	-1.135	-1.971

	C1	S2	N3	N4	H5	H6	H7	H8
C1		1.6521	1.3691	1.3691	2.0089	2.0446	2.0089	2.0446
S2	1.6521		2.6643	2.6643	2.7479	3.5253	2.7479	3.5253
N3	1.3691	2.6643		2.2843	1.0057	1.0076	3.1766	2.4600
N4	1.3691	2.6643	2.2843		3.1766	2.4600	1.0057	1.0076
H5	2.0089	2.7479	1.0057	3.1766		1.7016	3.9896	3.4567
H6	2.0446	3.5253	1.0076	2.4600	1.7016		3.4567	2.3595
H7	2.0089	2.7479	3.1766	1.0057	3.9896	3.4567		1.7016
H8	2.0446	3.5253	2.4600	1.0076	3.4567	2.3595	1.7016

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	114.684	C1	N3	H6	117.888
C1	N4	H7	114.684	C1	N4	H8	117.888
S2	C1	N3	123.462	S2	C1	N4	123.462
N3	C1	N4	113.076	H5	N3	H6	115.375
H7	N4	H8	115.375

All results from a given calculation for NH₂CSNH₂ (Thiourea)

using model chemistry: MP2=FULL/6-31G**

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=FULL/6-31G**

States and conformations

All results from a given calculation for NH₂CSNH₂ (Thiourea)