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	hartrees
Energy at 0K	-657.833295
Energy at 298.15K	-657.843079
HF Energy	-656.673023
Nuclear repulsion energy	302.278978

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3671	3477	4.33
2	A	3648	3455	8.16
3	A	3624	3432	31.80
4	A	3591	3401	85.90
5	A	3563	3374	0.49
6	A	3534	3347	1.71
7	A	1776	1682	60.82
8	A	1760	1667	33.40
9	A	1610	1524	105.79
10	A	1558	1476	171.11
11	A	1416	1341	83.99
12	A	1370	1298	1.26
13	A	1348	1277	30.68
14	A	1319	1249	100.44
15	A	1229	1164	115.09
16	A	1134	1074	41.05
17	A	1001	948	166.62
18	A	912	864	178.73
19	A	804	761	7.26
20	A	668	632	40.69
21	A	647	612	27.80
22	A	624	591	40.65
23	A	565	535	141.93
24	A	488	462	2.77
25	A	353	334	47.39
26	A	287	272	20.42
27	A	244	231	4.70
28	A	187	177	17.99
29	A	148	140	28.24
30	A	95	90	36.97

Atom	x (Å)	y (Å)	z (Å)
C1	-0.021	-0.218	-0.038
S2	-1.245	-1.325	0.038
N3	-0.122	1.130	-0.014
N4	-1.356	1.765	0.011
N5	1.291	-0.645	-0.182
N6	2.332	0.260	0.085
H7	2.713	0.108	1.013
H8	3.061	0.128	-0.603
H9	-1.393	2.403	0.794
H10	-1.505	2.264	-0.856
H11	0.746	1.644	-0.088
H12	1.415	-1.617	0.064

	C1	S2	N3	N4	N5	N6	H7	H8	H9	H10	H11	H12
C1		1.6521	1.3516	2.3908	1.3869	2.4046	2.9471	3.1527	3.0723	3.0048	2.0149	2.0076
S2	1.6521		2.6998	3.0922	2.6347	3.9131	4.3209	4.5898	3.8060	3.7076	3.5775	2.6765
N3	1.3516	2.6998		1.3878	2.2742	2.6057	3.1834	3.3888	1.9712	1.9767	1.0123	3.1484
N4	2.3908	3.0922	1.3878		3.5843	3.9839	4.5059	4.7503	1.0100	1.0110	2.1079	4.3724
N5	1.3869	2.6347	2.2742	3.5843		1.4052	2.0042	1.9771	4.1756	4.0898	2.3546	1.0106
N6	2.4046	3.9131	2.6057	3.9839	1.4052		1.0145	1.0107	4.3551	4.4296	2.1120	2.0890
H7	2.9471	4.3209	3.1834	4.5059	2.0042	1.0145		1.6528	4.7082	5.0918	2.7272	2.3578
H8	3.1527	4.5898	3.3888	4.7503	1.9771	1.0107	1.6528		5.1923	5.0471	2.8147	2.4896
H9	3.0723	3.8060	1.9712	1.0100	4.1756	4.3551	4.7082	5.1923		1.6590	2.4346	4.9568
H10	3.0048	3.7076	1.9767	1.0110	4.0898	4.4296	5.0918	5.0471	1.6590		2.4579	4.9428
H11	2.0149	3.5775	1.0123	2.1079	2.3546	2.1120	2.7272	2.8147	2.4346	2.4579		3.3324
H12	2.0076	2.6765	3.1484	4.3724	1.0106	2.0890	2.3578	2.4896	4.9568	4.9428	3.3324

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N4	121.555	C1	N3	H11	116.198
C1	N5	N6	118.905	C1	N5	H12	112.783
S2	C1	N3	127.725	S2	C1	N5	119.963
N3	C1	N5	112.286	N3	N4	H9	109.578
N3	N4	H10	109.988	N4	N3	H11	122.076
N5	N6	H7	110.814	N5	N6	H8	108.742
N6	N5	H12	118.801	H7	N6	H8	109.392
H9	N4	H10	110.351

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

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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