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	hartrees
Energy at 0K	-656.667999
Energy at 298.15K	-656.678680
Nuclear repulsion energy	302.771137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3864	3518	64.75
2	A	3841	3498	80.48
3	A	3837	3494	11.83
4	A	3810	3469	13.04
5	A	3734	3400	0.45
6	A	3718	3385	1.59
7	A	1826	1663	91.72
8	A	1817	1654	36.68
9	A	1714	1561	129.12
10	A	1667	1518	112.41
11	A	1493	1360	106.78
12	A	1434	1305	1.17
13	A	1417	1290	2.07
14	A	1394	1269	129.68
15	A	1281	1167	94.15
16	A	1191	1084	72.39
17	A	1029	937	158.46
18	A	924	841	197.88
19	A	821	748	22.22
20	A	715	651	3.30
21	A	645	587	51.04
22	A	632	576	0.63
23	A	542	493	62.20
24	A	507	462	1.81
25	A	342	311	65.21
26	A	308	281	6.86
27	A	259	236	7.37
28	A	200	182	31.79
29	A	139	127	21.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.003	-0.192	-0.002
S2	-1.218	-1.351	0.002
N3	-0.160	1.135	0.000
N4	-1.407	1.727	0.000
N5	1.292	-0.602	-0.010
N6	2.359	0.282	0.004
H7	2.912	0.149	0.829
H8	2.930	0.151	-0.808
H9	-1.527	2.288	0.820
H10	-1.533	2.278	-0.825
H11	0.663	1.698	-0.005
H12	1.439	-1.587	0.002

	C1	S2	N3	N4	N5	N6	H7	H8	H9	H10	H11	H12
C1		1.6841	1.3372	2.3817	1.3519	2.4027	3.0443	3.0548	3.0278	3.0230	2.0017	2.0015
S2	1.6841		2.7024	3.0840	2.6190	3.9323	4.4715	4.4855	3.7428	3.7357	3.5827	2.6674
N3	1.3372	2.7024		1.3810	2.2638	2.6590	3.3309	3.3417	1.9674	1.9678	0.9965	3.1566
N4	2.3817	3.0840	1.3810		3.5650	4.0338	4.6727	4.6850	1.0006	1.0006	2.0704	4.3683
N5	1.3519	2.6190	2.2638	3.5650		1.3862	1.9735	1.9722	4.1213	4.1155	2.3847	0.9955
N6	2.4027	3.9323	2.6590	4.0338	1.3862		1.0021	1.0020	4.4482	4.4514	2.2094	2.0831
H7	3.0443	4.4715	3.3309	4.6727	1.9735	1.0021		1.6378	4.9272	5.1985	2.8557	2.4223
H8	3.0548	4.4855	3.3417	4.6850	1.9722	1.0020	1.6378		5.2038	4.9434	2.8596	2.4292
H9	3.0278	3.7428	1.9674	1.0006	4.1213	4.4482	4.9272	5.2038		1.6456	2.4132	4.9474
H10	3.0230	3.7357	1.9678	1.0006	4.1155	4.4514	5.1985	4.9434	1.6456		2.4142	4.9449
H11	2.0017	3.5827	0.9965	2.0704	2.3847	2.2094	2.8557	2.8596	2.4132	2.4142		3.3752
H12	2.0015	2.6674	3.1566	4.3683	0.9955	2.0831	2.4223	2.4292	4.9474	4.9449	3.3752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N4	122.374	C1	N3	H11	117.381
C1	N5	N6	122.676	C1	N5	H12	116.174
S2	C1	N3	126.498	S2	C1	N5	118.830
N3	C1	N5	114.672	N3	N4	H9	110.379
N3	N4	H10	110.415	N4	N3	H11	120.243
N5	N6	H7	110.411	N5	N6	H8	110.309
N6	N5	H12	121.123	H7	N6	H8	109.623
H9	N4	H10	110.632

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

using model chemistry: HF/aug-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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Number	Element	Mulliken
1	C	0.665
2	S	-0.023
3	N	-0.352
4	N	-0.113
5	N	-0.162
6	N	-0.219
7	H	0.084
8	H	0.085
9	H	0.051
10	H	0.051
11	H	-0.015
12	H	-0.051

	x	y	z	Total
	5.816	4.388	0.014	7.286
CHELPG
AIM
ESP

<r²>	219.119
(<r²>)^1/2	14.803

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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