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	hartrees
Energy at 0K	-658.881728
Energy at 298.15K	-658.891264
HF Energy	-658.881728
Nuclear repulsion energy	301.054465

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3553	3428	22.56
2	A	3544	3420	1.52
3	A	3530	3407	3.70
4	A	3498	3376	42.34
5	A	3454	3333	1.15
6	A	3433	3313	3.45
7	A	1703	1644	39.26
8	A	1684	1625	18.40
9	A	1546	1492	103.62
10	A	1494	1442	145.55
11	A	1370	1322	41.69
12	A	1334	1287	1.62
13	A	1303	1257	20.80
14	A	1274	1229	54.31
15	A	1170	1129	89.24
16	A	1088	1050	36.94
17	A	943	910	119.38
18	A	896	864	109.75
19	A	776	749	15.84
20	A	642	620	3.27
21	A	622	601	27.45
22	A	610	589	38.14
23	A	534	516	93.85
24	A	470	453	1.87
25	A	325	314	42.63
26	A	270	260	16.57
27	A	229	221	5.79
28	A	178	172	16.10
29	A	130	125	12.13
30	A	86	83	32.56

Atom	x (Å)	y (Å)	z (Å)
C1	-0.009	-0.206	-0.001
S2	-1.228	-1.352	0.002
N3	-0.154	1.137	0.001
N4	-1.404	1.749	0.000
N5	1.294	-0.619	-0.009
N6	2.366	0.284	0.004
H7	2.933	0.155	0.838
H8	2.950	0.155	-0.818
H9	-1.509	2.329	0.827
H10	-1.517	2.314	-0.835
H11	0.700	1.685	-0.006
H12	1.437	-1.620	0.003

	C1	S2	N3	N4	N5	N6	H7	H8	H9	H10	H11	H12
C1		1.6732	1.3510	2.4024	1.3662	2.4245	3.0799	3.0907	3.0599	3.0532	2.0200	2.0219
S2	1.6732		2.7105	3.1059	2.6261	3.9488	4.5035	4.5169	3.7823	3.7711	3.5975	2.6785
N3	1.3510	2.7105		1.3919	2.2760	2.6602	3.3456	3.3573	1.9845	1.9852	1.0151	3.1831
N4	2.4024	3.1059	1.3919		3.5899	4.0445	4.6957	4.7088	1.0146	1.0147	2.1052	4.4072
N5	1.3662	2.6261	2.2760	3.5899		1.4021	2.0009	1.9994	4.1525	4.1456	2.3798	1.0112
N6	2.4245	3.9488	2.6602	4.0445	1.4021		1.0169	1.0167	4.4574	4.4608	2.1765	2.1190
H7	3.0799	4.5035	3.3456	4.6957	2.0009	1.0169		1.6562	4.9447	5.2210	2.8350	2.4671
H8	3.0907	4.5169	3.3573	4.7088	1.9994	1.0167	1.6562		5.2262	4.9618	2.8400	2.4729
H9	3.0599	3.7823	1.9845	1.0146	4.1525	4.4574	4.9447	5.2262		1.6615	2.4465	4.9949
H10	3.0532	3.7711	1.9852	1.0147	4.1456	4.4608	5.2210	4.9618	1.6615		2.4492	4.9905
H11	2.0200	3.5975	1.0151	2.1052	2.3798	2.1765	2.8350	2.8400	2.4465	2.4492		3.3866
H12	2.0219	2.6785	3.1831	4.4072	1.0112	2.1190	2.4671	2.4729	4.9949	4.9905	3.3866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N4	122.279	C1	N3	H11	116.521
C1	N5	N6	122.276	C1	N5	H12	115.722
S2	C1	N3	127.021	S2	C1	N5	119.203
N3	C1	N5	113.776	N3	N4	H9	110.114
N3	N4	H10	110.173	N4	N3	H11	121.199
N5	N6	H7	110.604	N5	N6	H8	110.491
N6	N5	H12	121.978	H7	N6	H8	109.056
H9	N4	H10	109.922

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

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

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