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	hartrees
Energy at 0K	-547.285828
Energy at 298.15K	-547.291775
HF Energy	-546.637275
Nuclear repulsion energy	157.618752

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3819	3558	31.66
2	A	3691	3439	29.22
3	A	1722	1604	96.20
4	A	1465	1365	417.71
5	A	1104	1029	109.96
6	A	802	747	9.75
7	A	555	517	141.09
8	A	477	444	3.76
9	A	366	341	161.81
10	B	3818	3557	61.41
11	B	3686	3434	71.28
12	B	1699	1583	219.42
13	B	1463	1363	120.33
14	B	1113	1037	16.52
15	B	640	597	18.92
16	B	598	557	190.19
17	B	433	403	274.95
18	B	417	388	2.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.291
S2	0.000	0.000	1.353
N3	0.000	1.141	-1.061
N4	0.000	-1.141	-1.061
H5	0.188	1.988	-0.553
H6	0.431	1.090	-1.970
H7	-0.188	-1.988	-0.553
H8	-0.431	-1.090	-1.970

	C1	S2	N3	N4	H5	H6	H7	H8
C1		1.6444	1.3764	1.3764	2.0136	2.0475	2.0136	2.0475
S2	1.6444		2.6701	2.6701	2.7601	3.5238	2.7601	3.5238
N3	1.3764	2.6701		2.2823	1.0051	1.0073	3.1754	2.4479
N4	1.3764	2.6701	2.2823		3.1754	2.4479	1.0051	1.0073
H5	2.0136	2.7601	1.0051	3.1754		1.6949	3.9931	3.4447
H6	2.0475	3.5238	1.0073	2.4479	1.6949		3.4447	2.3449
H7	2.0136	2.7601	3.1754	1.0051	3.9931	3.4447		1.6949
H8	2.0475	3.5238	2.4479	1.0073	3.4447	2.3449	1.6949

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	114.561	C1	N3	H6	117.567
C1	N4	H7	114.561	C1	N4	H8	117.567
S2	C1	N3	123.991	S2	C1	N4	123.991
N3	C1	N4	112.018	H5	N3	H6	114.750
H7	N4	H8	114.750

All results from a given calculation for NH₂CSNH₂ (Thiourea)

using model chemistry: MP3=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

All results from a given calculation for NH₂CSNH₂ (Thiourea)