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	hartrees
Energy at 0K	-657.572800
Energy at 298.15K	-657.582522
HF Energy	-656.637691
Nuclear repulsion energy	300.762436

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3609	3437	3.24
2	A	3596	3426	6.63
3	A	3575	3405	28.99
4	A	3560	3391	79.93
5	A	3498	3332	0.76
6	A	3477	3312	2.08
7	A	1703	1622	67.55
8	A	1678	1598	24.79
9	A	1577	1502	108.02
10	A	1520	1448	174.88
11	A	1390	1324	50.15
12	A	1352	1288	4.86
13	A	1325	1262	45.00
14	A	1298	1237	53.03
15	A	1203	1146	80.52
16	A	1121	1068	26.22
17	A	988	941	132.74
18	A	942	897	117.37
19	A	801	763	9.53
20	A	664	632	56.33
21	A	647	616	27.59
22	A	617	587	38.37
23	A	558	531	112.51
24	A	482	459	2.88
25	A	335	319	37.75
26	A	278	265	23.27
27	A	239	228	3.15
28	A	189	180	6.48
29	A	147	140	26.76
30	A	84	80	44.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.020	-0.217	-0.035
S2	-1.248	-1.333	0.043
N3	-0.123	1.136	0.022
N4	-1.370	1.766	0.004
N5	1.297	-0.641	-0.213
N6	2.338	0.267	0.087
H7	2.695	0.095	1.033
H8	3.107	0.080	-0.560
H9	-1.357	2.504	0.710
H10	-1.499	2.219	-0.904
H11	0.748	1.648	-0.123
H12	1.409	-1.618	0.062

	C1	S2	N3	N4	N5	N6	H7	H8	H9	H10	H11	H12
C1		1.6608	1.3588	2.3997	1.3959	2.4110	2.9341	3.1848	3.1222	2.9797	2.0195	2.0037
S2	1.6608		2.7136	3.1019	2.6504	3.9275	4.3087	4.6179	3.8961	3.6849	3.5916	2.6729
N3	1.3588	2.7136		1.3971	2.2880	2.6114	3.1698	3.4480	1.9663	1.9807	1.0207	3.1522
N4	2.3997	3.1019	1.3971		3.6002	4.0010	4.5139	4.8173	1.0213	1.0235	2.1250	4.3797
N5	1.3959	2.6504	2.2880	3.6002		1.4137	2.0117	1.9783	4.2183	4.0596	2.3566	1.0207
N6	2.4110	3.9275	2.6114	4.0010	1.4137		1.0259	1.0215	4.3647	4.4177	2.1170	2.1016
H7	2.9341	4.3087	3.1698	4.5139	2.0117	1.0259		1.6456	4.7250	5.0844	2.7458	2.3511
H8	3.1848	4.6179	3.4480	4.8173	1.9783	1.0215	1.6456		5.2362	5.0898	2.8665	2.4799
H9	3.1222	3.8961	1.9663	1.0213	4.2183	4.3647	4.7250	5.2362		1.6459	2.4201	5.0064
H10	2.9797	3.6849	1.9807	1.0235	4.0596	4.4177	5.0844	5.0898	1.6459		2.4461	4.9107
H11	2.0195	3.5916	1.0207	2.1250	2.3566	2.1170	2.7458	2.8665	2.4201	2.4461		3.3377
H12	2.0037	2.6729	3.1522	4.3797	1.0207	2.1016	2.3511	2.4799	5.0064	4.9107	3.3377

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N4	121.083	C1	N3	H11	115.408
C1	N5	N6	118.215	C1	N5	H12	111.078
S2	C1	N3	127.677	S2	C1	N5	119.993
N3	C1	N5	112.309	N3	N4	H9	107.784
N3	N4	H10	108.841	N4	N3	H11	122.255
N5	N6	H7	110.080	N5	N6	H8	107.564
N6	N5	H12	118.488	H7	N6	H8	106.971
H9	N4	H10	107.207

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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