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	hartrees
Energy at 0K	-657.516705
Energy at 298.15K	-657.526477
HF Energy	-656.586424
Nuclear repulsion energy	301.383823

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3636	3413	33.15
2	A	3630	3408	2.85
3	A	3621	3399	81.85
4	A	3619	3396	8.34
5	A	3533	3316	0.39
6	A	3515	3299	1.56
7	A	1765	1657	79.04
8	A	1750	1642	32.78
9	A	1632	1532	124.63
10	A	1577	1480	188.57
11	A	1438	1349	74.97
12	A	1373	1288	1.46
13	A	1350	1267	35.47
14	A	1331	1249	100.48
15	A	1229	1154	111.75
16	A	1139	1069	38.18
17	A	1022	959	163.46
18	A	945	887	169.05
19	A	810	761	20.02
20	A	664	624	28.38
21	A	644	605	25.57
22	A	627	588	71.04
23	A	566	531	135.27
24	A	488	458	4.71
25	A	346	325	49.24
26	A	288	270	23.33
27	A	248	233	5.64
28	A	184	173	23.14
29	A	146	137	34.10
30	A	102	96	29.94

Atom	x (Å)	y (Å)	z (Å)
C1	-0.015	-0.211	-0.042
S2	-1.225	-1.345	0.040
N3	-0.144	1.131	-0.027
N4	-1.397	1.747	0.017
N5	1.298	-0.623	-0.185
N6	2.343	0.289	0.092
H7	2.734	0.106	1.015
H8	3.075	0.149	-0.599
H9	-1.421	2.387	0.806
H10	-1.541	2.273	-0.841
H11	0.711	1.672	-0.091
H12	1.430	-1.600	0.046

	C1	S2	N3	N4	N5	N6	H7	H8	H9	H10	H11	H12
C1		1.6609	1.3481	2.3979	1.3831	2.4134	2.9620	3.1597	3.0740	3.0229	2.0189	2.0061
S2	1.6609		2.7028	3.0976	2.6343	3.9245	4.3281	4.5967	3.8158	3.7374	3.5876	2.6677
N3	1.3481	2.7028		1.3977	2.2753	2.6276	3.2271	3.4129	1.9760	1.9799	1.0135	3.1525
N4	2.3979	3.0976	1.3977		3.5945	4.0148	4.5554	4.7886	1.0161	1.0167	2.1118	4.3817
N5	1.3831	2.6343	2.2753	3.5945		1.4134	2.0081	1.9807	4.1754	4.1078	2.3706	1.0129
N6	2.4134	3.9245	2.6276	4.0148	1.4134		1.0194	1.0162	4.3679	4.4597	2.1473	2.0979
H7	2.9620	4.3281	3.2271	4.5554	2.0081	1.0194		1.6506	4.7441	5.1392	2.7872	2.3559
H8	3.1597	4.5967	3.4129	4.7886	1.9807	1.0162	1.6506		5.2148	5.0865	2.8579	2.4856
H9	3.0740	3.8158	1.9760	1.0161	4.1754	4.3679	4.7441	5.2148		1.6554	2.4205	4.9604
H10	3.0229	3.7374	1.9799	1.0167	4.1078	4.4597	5.1392	5.0865	1.6554		2.4480	4.9612
H11	2.0189	3.5876	1.0135	2.1118	2.3706	2.1473	2.7872	2.8579	2.4205	2.4480		3.3532
H12	2.0061	2.6677	3.1525	4.3817	1.0129	2.0979	2.3559	2.4856	4.9604	4.9612	3.3532

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N4	121.686	C1	N3	H11	116.784
C1	N5	N6	119.315	C1	N5	H12	112.799
S2	C1	N3	127.555	S2	C1	N5	119.586
N3	C1	N5	112.828	N3	N4	H9	108.872
N3	N4	H10	109.162	N4	N3	H11	121.475
N5	N6	H7	110.210	N5	N6	H8	108.107
N6	N5	H12	118.757	H7	N6	H8	108.360
H9	N4	H10	109.044

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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