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	hartrees
Energy at 0K	-57.446344
Energy at 298.15K	-57.456703
Nuclear repulsion energy	134.110192

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3923	3536	16.22
2	A	3898	3514	14.48
3	A	3898	3513	107.42
4	A	3883	3500	70.91
5	A	3782	3409	3.52
6	A	3769	3397	4.16
7	A	1867	1683	35.92
8	A	1846	1664	47.95
9	A	1700	1532	198.41
10	A	1676	1511	153.10
11	A	1517	1367	133.50
12	A	1443	1301	3.75
13	A	1400	1262	146.61
14	A	1387	1251	1.22
15	A	1311	1182	36.25
16	A	1190	1073	51.74
17	A	994	896	156.44
18	A	883	796	315.79
19	A	835	753	260.11
20	A	775	698	59.72
21	A	684	617	5.13
22	A	683	616	178.74
23	A	616	555	26.77
24	A	482	434	0.27
25	A	408	367	50.87
26	A	291	263	9.04
27	A	276	249	28.83
28	A	252	227	7.04
29	A	231	209	12.46
30	A	165	149	6.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.066	0.438	-0.000
S2	1.017	1.909	0.000
N3	0.589	-0.805	-0.000
N4	1.967	-1.086	0.000
N5	-1.298	0.517	-0.001
N6	-2.100	-0.635	0.001
H7	-2.627	-0.755	0.844
H8	-2.627	-0.757	-0.843
H9	2.413	-0.744	0.832
H10	2.413	-0.743	-0.831
H11	-0.022	-1.595	0.000
H12	-1.705	1.430	0.001

	C1	S2	N3	N4	N5	N6	H7	H8	H9	H10	H11	H12
C1		1.7524	1.3479	2.4369	1.3660	2.4165	3.0638	3.0639	2.7563	2.7562	2.0345	2.0293
S2	1.7524		2.7477	3.1430	2.7014	4.0233	4.5923	4.5932	3.1112	3.1110	3.6550	2.7635
N3	1.3479	2.7477		1.4071	2.3034	2.6936	3.3251	3.3243	2.0060	2.0059	0.9984	3.2017
N4	2.4369	3.1430	1.4071		3.6376	4.0918	4.6829	4.6823	1.0037	1.0037	2.0527	4.4511
N5	1.3660	2.7014	2.3034	3.6376		1.4034	2.0244	2.0243	4.0067	4.0065	2.4676	0.9992
N6	2.4165	4.0233	2.6936	4.0918	1.4034		1.0022	1.0022	4.5898	4.5904	2.2891	2.1020
H7	3.0638	4.5923	3.3251	4.6829	2.0244	1.0022		1.6873	5.0400	5.3117	2.8647	2.5168
H8	3.0639	4.5932	3.3243	4.6823	2.0243	1.0022	1.6873		5.3107	5.0403	2.8636	2.5187
H9	2.7563	3.1112	2.0060	1.0037	4.0067	4.5898	5.0400	5.3107		1.6624	2.7097	4.7295
H10	2.7562	3.1110	2.0059	1.0037	4.0065	4.5904	5.3117	5.0403	1.6624		2.7103	4.7299
H11	2.0345	3.6550	0.9984	2.0527	2.4676	2.2891	2.8647	2.8636	2.7097	2.7103		3.4613
H12	2.0293	2.7635	3.2017	4.4511	0.9992	2.1020	2.5168	2.5187	4.7295	4.7299	3.4613

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N4	124.377	C1	N3	H11	119.505
C1	N5	N6	121.511	C1	N5	H12	117.342
S2	C1	N3	124.303	S2	C1	N5	119.547
N3	C1	N5	116.150	N3	N4	H9	111.533
N3	N4	H10	111.530	N4	N3	H11	116.118
N5	N6	H7	113.560	N5	N6	H8	113.545
N6	N5	H12	121.147	H7	N6	H8	114.665
H9	N4	H10	111.811

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

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	C	-0.217
2	S	-0.320
3	N	-0.251
4	N	-0.447
5	N	-0.278
6	N	-0.552
7	H	0.311
8	H	0.311
9	H	0.306
10	H	0.306
11	H	0.427
12	H	0.404

	x	y	z	Total
	-4.737	-3.195	0.006	5.713
CHELPG
AIM
ESP

	x	y	z
x	8.639	1.877	0.001
y	1.877	8.768	0.002
z	0.001	0.002	4.201

<r²>	157.706
(<r²>)^1/2	12.558

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

using model chemistry: HF/CEP-31G

States and conformations

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