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	hartrees
Energy at 0K	-547.209427
Energy at 298.15K	-547.215388
HF Energy	-546.614746
Nuclear repulsion energy	157.393072

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3746	3516	25.76
2	A	3627	3404	24.53
3	A	1720	1615	93.97
4	A	1479	1388	350.47
5	A	1111	1043	82.11
6	A	800	751	8.51
7	A	569	534	137.00
8	A	478	449	12.15
9	A	384	360	197.00
10	B	3745	3515	61.13
11	B	3622	3399	70.23
12	B	1698	1594	227.29
13	B	1483	1392	105.09
14	B	1126	1057	13.31
15	B	657	616	97.49
16	B	609	571	185.35
17	B	422	396	287.59
18	B	415	389	2.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.307
S2	0.000	0.000	1.353
N3	0.000	1.143	-1.056
N4	0.000	-1.143	-1.056
H5	0.172	1.991	-0.536
H6	0.419	1.109	-1.976
H7	-0.172	-1.991	-0.536
H8	-0.419	-1.109	-1.976

	C1	S2	N3	N4	H5	H6	H7	H8
C1		1.6600	1.3668	1.3668	2.0117	2.0477	2.0117	2.0477
S2	1.6600		2.6667	2.6667	2.7500	3.5343	2.7500	3.5343
N3	1.3668	2.6667		2.2862	1.0097	1.0118	3.1818	2.4689
N4	1.3668	2.6667	2.2862		3.1818	2.4689	1.0097	1.0118
H5	2.0117	2.7500	1.0097	3.1818		1.7070	3.9972	3.4694
H6	2.0477	3.5343	1.0118	2.4689	1.7070		3.4694	2.3715
H7	2.0117	2.7500	3.1818	1.0097	3.9972	3.4694		1.7070
H8	2.0477	3.5343	2.4689	1.0118	3.4694	2.3715	1.7070

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	114.835	C1	N3	H6	118.071
C1	N4	H7	114.835	C1	N4	H8	118.071
S2	C1	N3	123.243	S2	C1	N4	123.243
N3	C1	N4	113.514	H5	N3	H6	115.224
H7	N4	H8	115.224

All results from a given calculation for NH₂CSNH₂ (Thiourea)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for NH₂CSNH₂ (Thiourea)