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	hartrees
Energy at 0K	-657.483833
Energy at 298.15K	-657.493554
HF Energy	-656.585153
Nuclear repulsion energy	301.349931

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3625	3419	4.13
2	A	3610	3404	7.84
3	A	3578	3374	31.46
4	A	3559	3356	86.60
5	A	3514	3313	0.73
6	A	3491	3292	1.95
7	A	1750	1650	61.33
8	A	1733	1634	27.50
9	A	1602	1511	116.46
10	A	1548	1460	186.42
11	A	1416	1335	61.34
12	A	1361	1283	2.64
13	A	1338	1261	45.01
14	A	1316	1241	76.02
15	A	1219	1150	103.73
16	A	1129	1064	31.24
17	A	1001	944	158.80
18	A	929	876	151.66
19	A	807	761	13.62
20	A	670	632	63.01
21	A	642	606	18.91
22	A	621	586	52.30
23	A	568	536	138.28
24	A	486	458	3.73
25	A	344	325	43.63
26	A	285	268	24.58
27	A	244	230	4.54
28	A	185	175	13.61
29	A	148	140	36.82
30	A	87	82	38.55

Atom	x (Å)	y (Å)	z (Å)
C1	-0.016	-0.214	-0.001
S2	-1.251	-1.333	0.002
N3	-0.130	1.134	0.000
N4	-1.369	1.769	0.001
N5	1.285	-0.639	-0.010
N6	2.360	0.259	0.004
H7	2.925	0.126	0.841
H8	2.943	0.127	-0.820
H9	-1.465	2.348	0.830
H10	-1.474	2.333	-0.838
H11	0.736	1.668	-0.007
H12	1.425	-1.644	0.003

	C1	S2	N3	N4	N5	N6	H7	H8	H9	H10	H11	H12
C1		1.6672	1.3522	2.4008	1.3683	2.4225	3.0776	3.0889	3.0585	3.0516	2.0259	2.0298
S2	1.6672		2.7096	3.1044	2.6292	3.9469	4.5025	4.5168	3.7791	3.7674	3.5991	2.6938
N3	1.3522	2.7096		1.3926	2.2683	2.6394	3.3248	3.3364	1.9862	1.9869	1.0174	3.1831
N4	2.4008	3.1044	1.3926		3.5839	4.0236	4.6738	4.6871	1.0159	1.0160	2.1076	4.4108
N5	1.3683	2.6292	2.2683	3.5839		1.4016	2.0000	1.9986	4.1462	4.1391	2.3714	1.0144
N6	2.4225	3.9469	2.6394	4.0236	1.4016		1.0184	1.0182	4.4360	4.4400	2.1500	2.1208
H7	3.0776	4.5025	3.3248	4.6738	2.0000	1.0184		1.6614	4.9201	5.2002	2.8082	2.4673
H8	3.0889	4.5168	3.3364	4.6871	1.9986	1.0182	1.6614		5.2047	4.9378	2.8121	2.4738
H9	3.0585	3.7791	1.9862	1.0159	4.1462	4.4360	4.9201	5.2047		1.6679	2.4508	4.9971
H10	3.0516	3.7674	1.9869	1.0160	4.1391	4.4400	5.2002	4.9378	1.6679		2.4534	4.9925
H11	2.0259	3.5991	1.0174	2.1076	2.3714	2.1500	2.8082	2.8121	2.4508	2.4534		3.3826
H12	2.0298	2.6938	3.1831	4.4108	1.0144	2.1208	2.4673	2.4738	4.9971	4.9925	3.3826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N4	122.000	C1	N3	H11	116.805
C1	N5	N6	121.992	C1	N5	H12	116.040
S2	C1	N3	127.318	S2	C1	N5	119.703
N3	C1	N5	112.979	N3	N4	H9	110.128
N3	N4	H10	110.183	N4	N3	H11	121.193
N5	N6	H7	110.481	N5	N6	H8	110.367
N6	N5	H12	121.941	H7	N6	H8	109.329
H9	N4	H10	110.353

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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