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	hartrees
Energy at 0K	-270.736649
Energy at 298.15K	-270.746349
Nuclear repulsion energy	221.745431

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3651	3509	9.03
2	A	3613	3473	75.11
3	A	3596	3457	31.34
4	A	3590	3450	3.62
5	A	3519	3383	0.36
6	A	3477	3342	0.97
7	A	1726	1659	34.67
8	A	1703	1637	31.69
9	A	1524	1465	194.22
10	A	1518	1459	98.23
11	A	1376	1323	50.05
12	A	1327	1276	0.50
13	A	1283	1233	114.68
14	A	1263	1214	0.05
15	A	1210	1164	32.45
16	A	1103	1060	51.15
17	A	882	848	119.52
18	A	760	731	151.57
19	A	725	697	138.49
20	A	675	649	141.31
21	A	625	601	77.12
22	A	591	568	90.43
23	A	588	565	51.16
24	A	461	443	0.18
25	A	364	350	48.65
26	A	271	261	10.43
27	A	227	219	6.57
28	A	207	199	25.72
29	A	171	164	18.27
30	A	135	130	6.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.073	0.532	0.000
S2	0.927	2.041	0.000
N3	0.669	-0.696	0.000
N4	2.068	-0.901	-0.000
N5	-1.311	0.509	-0.000
N6	-2.026	-0.706	-0.000
H7	-2.543	-0.885	0.858
H8	-2.543	-0.885	-0.858
H9	2.491	-0.499	0.839
H10	2.491	-0.498	-0.839
H11	0.083	-1.525	-0.000
H12	-1.782	1.408	-0.000

	C1	S2	N3	N4	N5	N6	H7	H8	H9	H10	H11	H12
C1		1.7336	1.3654	2.4563	1.3838	2.4369	3.0963	3.0963	2.7595	2.7586	2.0570	2.0517
S2	1.7336		2.7493	3.1552	2.7115	4.0328	4.6190	4.6190	3.0989	3.0973	3.6643	2.7818
N3	1.3654	2.7493		1.4138	2.3177	2.6951	3.3299	3.3301	2.0156	2.0156	1.0151	3.2308
N4	2.4563	3.1552	1.4138		3.6609	4.0987	4.6902	4.6902	1.0221	1.0221	2.0812	4.4895
N5	1.3838	2.7115	2.3177	3.6609		1.4098	2.0488	2.0487	4.0217	4.0209	2.4653	1.0155
N6	2.4369	4.0328	2.6951	4.0987	1.4098		1.0173	1.0173	4.5991	4.5988	2.2621	2.1282
H7	3.0963	4.6190	3.3299	4.6902	2.0488	1.0173		1.7153	5.0490	5.3262	2.8354	2.5638
H8	3.0963	4.6190	3.3301	4.6902	2.0487	1.0173	1.7153		5.3265	5.0489	2.8354	2.5638
H9	2.7595	3.0989	2.0156	1.0221	4.0217	4.5991	5.0490	5.3265		1.6780	2.7491	4.7544
H10	2.7586	3.0973	2.0156	1.0221	4.0209	4.5988	5.3262	5.0489	1.6780		2.7493	4.7534
H11	2.0570	3.6643	1.0151	2.0812	2.4653	2.2621	2.8354	2.8354	2.7491	2.7493		3.4758
H12	2.0517	2.7818	3.2308	4.4895	1.0155	2.1282	2.5638	2.5638	4.7544	4.7534	3.4758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N4	124.197	C1	N3	H11	118.824
C1	N5	N6	121.449	C1	N5	H12	116.714
S2	C1	N3	124.610	S2	C1	N5	120.463
N3	C1	N5	114.927	N3	N4	H9	110.645
N3	N4	H10	110.643	N4	N3	H11	116.980
N5	N6	H7	114.174	N5	N6	H8	114.173
N6	N5	H12	121.837	H7	N6	H8	114.925
H9	N4	H10	110.339

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

using model chemistry: B3LYP/LANL2DZ

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	-0.103
2	S	-0.144
3	N	-0.285
4	N	-0.498
5	N	-0.294
6	N	-0.583
7	H	0.309
8	H	0.309
9	H	0.301
10	H	0.301
11	H	0.358
12	H	0.330

	x	y	z	Total
	-4.184	-2.899	0.001	5.090
CHELPG
AIM
ESP

	x	y	z
x	9.607	1.917	0.001
y	1.917	9.891	0.000
z	0.001	0.000	4.418

<r²>	184.044
(<r²>)^1/2	13.566

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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