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	hartrees
Energy at 0K	-547.309669
Energy at 298.15K	-547.315710
HF Energy	-546.684847
Nuclear repulsion energy	157.460417

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3731	3546	24.10
2	A	3605	3426	20.69
3	A	1667	1584	84.70
4	A	1447	1375	338.64
5	A	1098	1044	84.15
6	A	800	760	2.91
7	A	617	587	221.00
8	A	471	448	5.92
9	A	397	377	129.49
10	B	3731	3546	51.79
11	B	3600	3421	64.35
12	B	1646	1564	180.01
13	B	1436	1364	94.66
14	B	1100	1046	15.36
15	B	662	629	160.01
16	B	595	565	156.80
17	B	450	428	154.68
18	B	411	390	1.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.299
S2	0.000	0.000	1.352
N3	0.000	1.144	-1.060
N4	0.000	-1.144	-1.060
H5	0.199	1.983	-0.538
H6	0.460	1.087	-1.958
H7	-0.199	-1.983	-0.538
H8	-0.460	-1.087	-1.958

	C1	S2	N3	N4	H5	H6	H7	H8
C1		1.6508	1.3738	1.3738	2.0072	2.0363	2.0072	2.0363
S2	1.6508		2.6693	2.6693	2.7465	3.5142	2.7465	3.5142
N3	1.3738	2.6693		2.2876	1.0082	1.0106	3.1763	2.4486
N4	1.3738	2.6693	2.2876		3.1763	2.4486	1.0082	1.0106
H5	2.0072	2.7465	1.0082	3.1763		1.6992	3.9859	3.4464
H6	2.0363	3.5142	1.0106	2.4486	1.6992		3.4464	2.3610
H7	2.0072	2.7465	3.1763	1.0082	3.9859	3.4464		1.6992
H8	2.0363	3.5142	2.4486	1.0106	3.4464	2.3610	1.6992

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	113.965	C1	N3	H6	116.466
C1	N4	H7	113.965	C1	N4	H8	116.466
S2	C1	N3	123.637	S2	C1	N4	123.637
N3	C1	N4	112.727	H5	N3	H6	114.631
H7	N4	H8	114.631

All results from a given calculation for NH₂CSNH₂ (Thiourea)

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

All results from a given calculation for NH₂CSNH₂ (Thiourea)