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	hartrees
Energy at 0K	-547.208581
Energy at 298.15K	-547.214560
HF Energy	-546.614153
Nuclear repulsion energy	157.420573

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3722	3507	31.01
2	A	3594	3386	22.37
3	A	1705	1607	81.90
4	A	1472	1387	337.43
5	A	1109	1045	68.68
6	A	803	756	4.45
7	A	580	547	165.03
8	A	476	448	10.38
9	A	389	366	162.34
10	B	3722	3507	61.42
11	B	3589	3381	75.94
12	B	1682	1585	209.16
13	B	1468	1383	98.69
14	B	1114	1050	13.06
15	B	657	619	128.50
16	B	607	572	177.78
17	B	433	408	250.50
18	B	415	391	2.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.302
S2	0.000	0.000	1.351
N3	-0.100	1.139	-1.057
N4	0.100	-1.139	-1.057
H5	0.000	2.000	-0.534
H6	0.339	1.141	-1.971
H7	0.000	-2.000	-0.534
H8	-0.339	-1.141	-1.971

	C1	S2	N3	N4	H5	H6	H7	H8
C1		1.6531	1.3704	1.3704	2.0131	2.0497	2.0131	2.0497
S2	1.6531		2.6658	2.6658	2.7482	3.5286	2.7482	3.5286
N3	1.3704	2.6658		2.2873	1.0118	1.0138	3.1838	2.4680
N4	1.3704	2.6658	2.2873		3.1838	2.4680	1.0118	1.0138
H5	2.0131	2.7482	1.0118	3.1838		1.7078	3.9994	3.4702
H6	2.0497	3.5286	1.0138	2.4680	1.7078		3.4702	2.3803
H7	2.0131	2.7482	3.1838	1.0118	3.9994	3.4702		1.7078
H8	2.0497	3.5286	2.4680	1.0138	3.4702	2.3803	1.7078

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	114.521	C1	N3	H6	117.794
C1	N4	H7	114.521	C1	N4	H8	117.794
S2	C1	N3	123.430	S2	C1	N4	123.430
N3	C1	N4	113.140	H5	N3	H6	114.944
H7	N4	H8	114.944

All results from a given calculation for NH₂CSNH₂ (Thiourea)

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

States and conformations

All results from a given calculation for NH₂CSNH₂ (Thiourea)