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	hartrees
Energy at 0K	-657.540699
Energy at 298.15K	-657.550427
HF Energy	-656.608196
Nuclear repulsion energy	301.684176

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3685	3451	3.52
2	A	3667	3434	6.75
3	A	3643	3412	30.28
4	A	3623	3393	84.65
5	A	3570	3343	0.65
6	A	3546	3321	1.94
7	A	1736	1626	61.60
8	A	1716	1607	25.73
9	A	1598	1497	109.85
10	A	1543	1445	184.36
11	A	1410	1320	69.16
12	A	1351	1266	2.60
13	A	1329	1245	58.63
14	A	1311	1228	63.93
15	A	1218	1141	97.90
16	A	1127	1056	30.92
17	A	984	922	153.02
18	A	908	850	145.72
19	A	804	753	10.54
20	A	666	623	53.56
21	A	642	601	20.99
22	A	620	580	45.48
23	A	566	530	132.76
24	A	485	455	3.36
25	A	344	322	44.49
26	A	284	266	22.33
27	A	243	228	4.57
28	A	187	175	15.51
29	A	148	139	32.61
30	A	88	82	35.88

Atom	x (Å)	y (Å)	z (Å)
C1	-0.020	-0.218	-0.039
S2	-1.237	-1.333	0.042
N3	-0.130	1.131	-0.009
N4	-1.376	1.757	0.011
N5	1.296	-0.635	-0.201
N6	2.337	0.275	0.093
H7	2.705	0.106	1.025
H8	3.082	0.127	-0.577
H9	-1.395	2.423	0.773
H10	-1.520	2.250	-0.863
H11	0.732	1.653	-0.103
H12	1.420	-1.607	0.053

	C1	S2	N3	N4	N5	N6	H7	H8	H9	H10	H11	H12
C1		1.6524	1.3538	2.3965	1.3901	2.4118	2.9435	3.1674	3.0867	3.0035	2.0182	2.0026
S2	1.6524		2.7017	3.0933	2.6389	3.9195	4.3104	4.6010	3.8301	3.7064	3.5803	2.6710
N3	1.3538	2.7017		1.3950	2.2778	2.6131	3.1872	3.4129	1.9707	1.9784	1.0126	3.1465
N4	2.3965	3.0933	1.3950		3.5928	3.9989	4.5183	4.7834	1.0124	1.0136	2.1143	4.3744
N5	1.3901	2.6389	2.2778	3.5928		1.4133	2.0089	1.9778	4.1887	4.0857	2.3588	1.0120
N6	2.4118	3.9195	2.6131	3.9989	1.4133		1.0165	1.0129	4.3599	4.4374	2.1243	2.0939
H7	2.9435	4.3104	3.1872	4.5183	2.0089	1.0165		1.6459	4.7171	5.1005	2.7493	2.3517
H8	3.1674	4.6010	3.4129	4.7834	1.9778	1.0129	1.6459		5.2101	5.0764	2.8420	2.4831
H9	3.0867	3.8301	1.9707	1.0124	4.1887	4.3599	4.7171	5.2101		1.6496	2.4264	4.9685
H10	3.0035	3.7064	1.9784	1.0136	4.0857	4.4374	5.1005	5.0764	1.6496		2.4510	4.9353
H11	2.0182	3.5803	1.0126	2.1143	2.3588	2.1243	2.7493	2.8420	2.4264	2.4510		3.3356
H12	2.0026	2.6710	3.1465	4.3744	1.0120	2.0939	2.3517	2.4831	4.9685	4.9353	3.3356

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N4	121.336	C1	N3	H11	116.305
C1	N5	N6	118.696	C1	N5	H12	111.992
S2	C1	N3	127.699	S2	C1	N5	120.051
N3	C1	N5	112.214	N3	N4	H9	108.851
N3	N4	H10	109.430	N4	N3	H11	122.042
N5	N6	H7	110.477	N5	N6	H8	108.073
N6	N5	H12	118.459	H7	N6	H8	108.394
H9	N4	H10	109.028

All results from a given calculation for CH₆N₄S (Carbonothioic dihydrazide)

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 CH6N4S (Carbonothioic dihydrazide)

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

States and conformations

All results from a given calculation for CH₆N₄S (Carbonothioic dihydrazide)