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	hartrees
Energy at 0K	-601.509386
Energy at 298.15K	-601.517978
Nuclear repulsion energy	223.955695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3985	3598	97.87
2	A	3902	3523	19.75
3	A	3877	3501	56.67
4	A	3834	3462	110.22
5	A	3771	3405	6.99
6	A	1872	1691	52.76
7	A	1817	1641	226.64
8	A	1712	1546	147.08
9	A	1627	1469	151.97
10	A	1443	1303	225.05
11	A	1411	1274	0.89
12	A	1301	1175	19.28
13	A	1111	1003	30.14
14	A	911	822	96.43
15	A	863	779	450.69
16	A	803	725	227.12
17	A	757	684	148.64
18	A	712	643	11.42
19	A	652	588	52.61
20	A	517	467	4.69
21	A	425	384	45.18
22	A	418	378	2.10
23	A	319	288	10.90
24	A	189	170	2.44

Atom	x (Å)	y (Å)	z (Å)
H1	-0.618	-1.664	0.001
N2	-0.866	-0.703	-0.001
S3	1.795	-0.349	0.000
C4	0.134	0.195	-0.000
H5	-1.163	1.745	-0.000
H6	0.510	2.161	-0.000
N7	-0.207	1.477	0.000
H8	-2.683	-0.534	0.840
H9	-2.684	-0.534	-0.839
N10	-2.197	-0.311	0.000

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		0.9929	2.7486	2.0052	3.4526	3.9875	3.1676	2.4992	2.5001	2.0797
N2	0.9929		2.6853	1.3440	2.4659	3.1768	2.2771	2.0091	2.0087	1.3874
S3	2.7486	2.6853		1.7481	3.6248	2.8200	2.7096	4.5605	4.5613	3.9930
C4	2.0052	1.3440	1.7481		2.0216	2.0014	1.3265	3.0289	3.0294	2.3856
H5	3.4526	2.4659	3.6248	2.0216		1.7234	0.9935	2.8656	2.8658	2.3016
H6	3.9875	3.1768	2.8200	2.0014	1.7234		0.9902	4.2615	4.2620	3.6654
N7	3.1676	2.2771	2.7096	1.3265	0.9935	0.9902		3.2987	3.2994	2.6755
H8	2.4992	2.0091	4.5605	3.0289	2.8656	4.2615	3.2987		1.6790	0.9956
H9	2.5001	2.0087	4.5613	3.0294	2.8658	4.2620	3.2994	1.6790		0.9955
N10	2.0797	1.3874	3.9930	2.3856	2.3016	3.6654	2.6755	0.9956	0.9955

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	117.409	H1	N2	N10	120.887
N2	C4	S3	119.984	N2	C4	N7	117.008
N2	N10	H8	113.927	N2	N10	H9	113.898
S3	C4	N7	123.008	C4	N2	N10	121.703
C4	N7	H5	120.565	C4	N7	H6	118.799
H5	N7	H6	120.635	H8	N10	H9	114.967

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: HF/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	CHELPG
1	H	0.410	0.186
2	N	-0.657	0.096
3	S	-0.194	-0.565
4	C	0.397	0.196
5	H	0.413	0.243
6	H	0.410	0.300
7	N	-0.891	-0.410
8	H	0.363	0.370
9	H	0.363	0.370
10	N	-0.613	-0.785

	x	y	z	Total
	-7.090	0.792	0.002	7.134
CHELPG	-7.155	0.834	-0.000	7.204
AIM
ESP

	x	y	z
x	9.394	-0.747	0.000
y	-0.747	5.737	0.000
z	0.000	0.000	3.211

<r²>	164.100
(<r²>)^1/2	12.810

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: HF/6-31G

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)