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	hartrees
Energy at 0K	-603.110784
Energy at 298.15K	-603.118325
Nuclear repulsion energy	223.648300

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3645	3593	68.77
2	A	3466	3417	34.89
3	A	3456	3406	20.41
4	A	3449	3399	2.10
5	A	3349	3302	8.43
6	A	1670	1646	27.94
7	A	1576	1554	225.22
8	A	1478	1457	175.55
9	A	1429	1409	9.84
10	A	1287	1268	2.93
11	A	1271	1253	154.78
12	A	1155	1138	32.88
13	A	1004	990	23.93
14	A	895	882	88.10
15	A	814	802	46.59
16	A	656	646	5.83
17	A	591	582	4.37
18	A	515	507	33.93
19	A	496	489	21.83
20	A	392	387	190.12
21	A	371	365	57.61
22	A	287	283	35.91
23	A	196	193	44.74
24	A	110	108	37.09

Atom	x (Å)	y (Å)	z (Å)
H1	0.600	-1.684	0.068
N2	0.864	-0.711	-0.104
S3	-1.770	-0.355	0.019
C4	-0.178	0.189	-0.021
H5	1.186	1.716	-0.103
H6	-0.525	2.196	-0.076
N7	0.197	1.490	0.018
H8	2.769	-0.697	-0.694
H9	2.571	-0.555	0.953
N10	2.193	-0.269	0.040

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0231	2.7177	2.0304	3.4547	4.0424	3.2000	2.5010	2.4375	2.1307
N2	1.0231		2.6604	1.3790	2.4482	3.2214	2.3026	1.9937	2.0138	1.4077
S3	2.7177	2.6604		1.6827	3.6113	2.8398	2.6969	4.6064	4.4447	3.9636
C4	2.0304	1.3790	1.6827		2.0492	2.0373	1.3545	3.1492	3.0101	2.4154
H5	3.4547	2.4482	3.6113	2.0492		1.7773	1.0215	2.9456	2.8625	2.2305
H6	4.0424	3.2214	2.8398	2.0373	1.7773		1.0143	4.4268	4.2679	3.6710
N7	3.2000	2.3026	2.6969	1.3545	1.0215	1.0143		3.4497	3.2700	2.6602
H8	2.5010	1.9937	4.6064	3.1492	2.9456	4.4268	3.4497		1.6649	1.0261
H9	2.4375	2.0138	4.4447	3.0101	2.8625	4.2679	3.2700	1.6649		1.0291
N10	2.1307	1.4077	3.9636	2.4154	2.2305	3.6710	2.6602	1.0261	1.0291

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	114.586	H1	N2	N10	121.644
N2	C4	S3	120.343	N2	C4	N7	114.777
N2	N10	H8	108.994	N2	N10	H9	110.500
S3	C4	N7	124.879	C4	N2	N10	120.158
C4	N7	H5	118.513	C4	N7	H6	117.925
H5	N7	H6	121.619	H8	N10	H9	108.208

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	H	0.341
2	N	-0.447
3	S	-0.310
4	C	0.323
5	H	0.353
6	H	0.358
7	N	-0.696
8	H	0.335
9	H	0.329
10	N	-0.587

	x	y	z	Total
	5.829	0.394	0.148	5.844
CHELPG
AIM
ESP

	x	y	z
x	11.548	0.601	-0.040
y	0.601	7.273	-0.013
z	-0.040	-0.013	3.986

<r²>	162.334
(<r²>)^1/2	12.741

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: PBEPBE/6-31G*

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)