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	hartrees
Energy at 0K	-655.054574
Energy at 298.15K	-655.064447
HF Energy	-655.054574
Nuclear repulsion energy	300.380375

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3552	3421	40.92
2	A	3546	3416	4.75
3	A	3544	3414	97.95
4	A	3460	3333	1.38
5	A	3435	3309	1.31
6	A	3373	3250	1.92
7	A	1765	1700	36.29
8	A	1734	1670	29.79
9	A	1554	1497	219.47
10	A	1526	1470	131.36
11	A	1381	1330	21.23
12	A	1379	1328	2.22
13	A	1304	1256	0.97
14	A	1288	1241	141.52
15	A	1216	1171	18.15
16	A	1100	1060	22.94
17	A	929	895	101.33
18	A	797	767	191.46
19	A	795	766	180.53
20	A	730	704	51.25
21	A	665	640	3.77
22	A	598	576	25.39
23	A	595	573	132.47
24	A	472	455	0.53
25	A	369	355	50.56
26	A	279	269	14.74
27	A	236	227	7.03
28	A	222	214	20.81
29	A	162	156	34.17
30	A	125	120	5.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.035	-0.186	-0.000
S2	-1.337	-1.228	0.000
N3	-0.041	1.149	-0.000
N4	-1.273	1.863	0.000
N5	1.293	-0.702	-0.000
N6	2.400	0.188	0.000
H7	2.959	0.092	0.849
H8	2.958	0.092	-0.849
H9	-1.804	1.565	0.829
H10	-1.805	1.564	-0.828
H11	0.830	1.675	0.000
H12	1.394	-1.712	0.000

	C1	S2	N3	N4	N5	N6	H7	H8	H9	H10	H11	H12
C1		1.7228	1.3371	2.4318	1.3588	2.3939	3.0568	3.0565	2.6711	2.6709	2.0237	2.0431
S2	1.7228		2.7069	3.0917	2.6818	3.9960	4.5733	4.5732	2.9499	2.9490	3.6222	2.7736
N3	1.3371	2.7069		1.4248	2.2806	2.6229	3.2918	3.2911	1.9920	1.9920	1.0172	3.2005
N4	2.4318	3.0917	1.4248		3.6281	4.0373	4.6659	4.6653	1.0284	1.0283	2.1114	4.4609
N5	1.3588	2.6818	2.2806	3.6281		1.4202	2.0313	2.0313	3.9255	3.9256	2.4213	1.0158
N6	2.3939	3.9960	2.6229	4.0373	1.4202		1.0212	1.0212	4.5001	4.5006	2.1627	2.1500
H7	3.0568	4.5733	3.2918	4.6659	2.0313	1.0212		1.6990	4.9849	5.2602	2.7860	2.5344
H8	3.0565	4.5732	3.2911	4.6653	2.0313	1.0212	1.6990		5.2593	4.9850	2.7853	2.5350
H9	2.6711	2.9499	1.9920	1.0284	3.9255	4.5001	4.9849	5.2593		1.6570	2.7628	4.6528
H10	2.6709	2.9490	1.9920	1.0283	3.9256	4.5006	5.2602	4.9850	1.6570		2.7635	4.6529
H11	2.0237	3.6222	1.0172	2.1114	2.4213	2.1627	2.7860	2.7853	2.7628	2.7635		3.4340
H12	2.0431	2.7736	3.2005	4.4609	1.0158	2.1500	2.5344	2.5350	4.6528	4.6529	3.4340

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N4	123.372	C1	N3	H11	117.899
C1	N5	N6	118.939	C1	N5	H12	118.003
S2	C1	N3	123.926	S2	C1	N5	120.524
N3	C1	N5	115.550	N3	N4	H9	107.491
N3	N4	H10	107.492	N4	N3	H11	118.729
N5	N6	H7	111.570	N5	N6	H8	111.566
N6	N5	H12	123.058	H7	N6	H8	112.576
H9	N4	H10	107.351

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

using model chemistry: HSEh1PBE/3-21G

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: HSEh1PBE/3-21G

States and conformations

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