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	hartrees
Energy at 0K	-547.303495
Energy at 298.15K	-547.309293
Nuclear repulsion energy	156.515974

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3712	3560	36.09
2	A	3572	3425	19.77
3	A	1647	1580	84.71
4	A	1423	1365	347.79
5	A	1078	1034	86.88
6	A	789	757	5.96
7	A	505	484	64.07
8	A	461	442	4.78
9	A	341	327	157.33
10	B	3712	3560	54.75
11	B	3567	3421	66.59
12	B	1626	1559	198.34
13	B	1421	1363	93.69
14	B	1072	1028	19.58
15	B	626	600	5.30
16	B	581	557	109.63
17	B	403	387	1.70
18	B	384	368	284.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.307
S2	0.000	0.000	1.360
N3	-0.098	1.148	-1.060
N4	0.098	-1.148	-1.060
H5	0.000	2.010	-0.538
H6	0.298	1.147	-1.995
H7	0.000	-2.010	-0.538
H8	-0.298	-1.147	-1.995

	C1	S2	N3	N4	H5	H6	H7	H8
C1		1.6673	1.3764	1.3764	2.0235	2.0626	2.0235	2.0626
S2	1.6673		2.6806	2.6806	2.7647	3.5584	2.7647	3.5584
N3	1.3764	2.6806		2.3043	1.0130	1.0150	3.2027	2.4865
N4	1.3764	2.6806	2.3043		3.2027	2.4865	1.0130	1.0150
H5	2.0235	2.7647	1.0130	3.2027		1.7195	4.0206	3.4904
H6	2.0626	3.5584	1.0150	2.4865	1.7195		3.4904	2.3707
H7	2.0235	2.7647	3.2027	1.0130	4.0206	3.4904		1.7195
H8	2.0626	3.5584	2.4865	1.0150	3.4904	2.3707	1.7195

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	114.892	C1	N3	H6	118.407
C1	N4	H7	114.892	C1	N4	H8	118.407
S2	C1	N3	123.172	S2	C1	N4	123.172
N3	C1	N4	113.656	H5	N3	H6	115.960
H7	N4	H8	115.960

All results from a given calculation for NH₂CSNH₂ (Thiourea)

using model chemistry: MP2/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CSNH₂ (Thiourea)