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	hartrees
Energy at 0K	-37.720542
Energy at 298.15K	-37.726563
HF Energy	-37.130250
Nuclear repulsion energy	64.148599

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3692	3517	20.58
2	A	3560	3392	13.36
3	A	1703	1623	66.34
4	A	1447	1378	312.95
5	A	1097	1045	80.50
6	A	786	749	0.82
7	A	659	628	267.83
8	A	464	442	10.16
9	A	398	380	129.65
10	B	3692	3517	44.00
11	B	3556	3388	52.90
12	B	1680	1601	187.72
13	B	1412	1346	102.28
14	B	1108	1056	22.53
15	B	672	640	286.85
16	B	585	558	109.91
17	B	445	424	116.01
18	B	401	382	2.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.300
S2	0.000	0.000	1.362
N3	-0.119	1.149	-1.072
N4	0.119	-1.149	-1.072
H5	0.000	2.002	-0.536
H6	0.385	1.141	-1.955
H7	0.000	-2.002	-0.536
H8	-0.385	-1.141	-1.955

	C1	S2	N3	N4	H5	H6	H7	H8
C1		1.6620	1.3896	1.3896	2.0162	2.0469	2.0162	2.0469
S2	1.6620		2.6942	2.6942	2.7589	3.5289	2.7589	3.5289
N3	1.3896	2.6942		2.3110	1.0144	1.0169	3.1991	2.4693
N4	1.3896	2.6942	2.3110		3.1991	2.4693	1.0144	1.0169
H5	2.0162	2.7589	1.0144	3.1991		1.7039	4.0047	3.4705
H6	2.0469	3.5289	1.0169	2.4693	1.7039		3.4705	2.4088
H7	2.0162	2.7589	3.1991	1.0144	4.0047	3.4705		1.7039
H8	2.0469	3.5289	2.4693	1.0169	3.4705	2.4088	1.7039

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	113.081	C1	N3	H6	115.679
C1	N4	H7	113.081	C1	N4	H8	115.679
S2	C1	N3	123.740	S2	C1	N4	123.740
N3	C1	N4	112.520	H5	N3	H6	114.031
H7	N4	H8	114.031

All results from a given calculation for NH₂CSNH₂ (Thiourea)

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

All results from a given calculation for NH₂CSNH₂ (Thiourea)