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	hartrees
Energy at 0K	-547.223409
Energy at 298.15K	-547.229367
HF Energy	-546.630279
Nuclear repulsion energy	157.467680

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3791	3550	30.50
2	A	3653	3421	20.63
3	A	1698	1590	82.76
4	A	1464	1371	338.47
5	A	1104	1034	70.47
6	A	801	750	4.82
7	A	561	525	144.07
8	A	473	443	9.32
9	A	386	362	159.89
10	B	3791	3550	56.46
11	B	3648	3416	72.47
12	B	1677	1570	200.40
13	B	1461	1368	98.11
14	B	1105	1035	13.84
15	B	646	605	78.27
16	B	603	564	177.58
17	B	427	400	263.10
18	B	413	387	2.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.301
S2	0.000	0.000	1.353
N3	-0.100	1.139	-1.058
N4	0.100	-1.139	-1.058
H5	0.000	1.996	-0.540
H6	0.328	1.135	-1.971
H7	0.000	-1.996	-0.540
H8	-0.328	-1.135	-1.971

	C1	S2	N3	N4	H5	H6	H7	H8
C1		1.6539	1.3709	1.3709	2.0101	2.0451	2.0101	2.0451
S2	1.6539		2.6678	2.6678	2.7504	3.5271	2.7504	3.5271
N3	1.3709	2.6678		2.2863	1.0067	1.0086	3.1788	2.4604
N4	1.3709	2.6678	2.2863		3.1788	2.4604	1.0067	1.0086
H5	2.0101	2.7504	1.0067	3.1788		1.7022	3.9918	3.4577
H6	2.0451	3.5271	1.0086	2.4604	1.7022		3.4577	2.3622
H7	2.0101	2.7504	3.1788	1.0067	3.9918	3.4577		1.7022
H8	2.0451	3.5271	2.4604	1.0086	3.4577	2.3622	1.7022

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	114.577	C1	N3	H6	117.715
C1	N4	H7	114.577	C1	N4	H8	117.715
S2	C1	N3	123.499	S2	C1	N4	123.499
N3	C1	N4	113.002	H5	N3	H6	115.276
H7	N4	H8	115.276

All results from a given calculation for NH₂CSNH₂ (Thiourea)

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

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: MP2/6-31G**

States and conformations

All results from a given calculation for NH₂CSNH₂ (Thiourea)