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	hartrees
Energy at 0K	-601.520523
Energy at 298.15K	-601.528221
Nuclear repulsion energy	226.484769

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3643	3605	101.32
2	A	3476	3440	9.73
3	A	3465	3429	27.97
4	A	3425	3390	64.55
5	A	3394	3359	1.86
6	A	1627	1610	68.73
7	A	1557	1541	266.32
8	A	1482	1467	179.87
9	A	1392	1378	34.07
10	A	1261	1248	144.93
11	A	1250	1237	0.04
12	A	1178	1166	19.83
13	A	1018	1008	14.47
14	A	850	841	25.25
15	A	791	782	138.92
16	A	693	686	1.50
17	A	610	604	2.40
18	A	522	516	0.90
19	A	515	509	32.20
20	A	418	414	250.03
21	A	385	381	2.34
22	A	306	303	10.09
23	A	219	217	28.46
24	A	101	100	25.65

Atom	x (Å)	y (Å)	z (Å)
H1	-0.572	-1.695	-0.000
N2	-0.847	-0.710	-0.000
S3	1.757	-0.337	-0.000
C4	0.175	0.186	-0.000
H5	-1.226	1.640	0.001
H6	0.489	2.188	0.001
N7	-0.218	1.462	-0.000
H8	-2.657	-0.576	0.841
H9	-2.658	-0.575	-0.840
N10	-2.153	-0.280	0.000

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0225	2.6959	2.0243	3.3984	4.0252	3.1770	2.5116	2.5119	2.1217
N2	1.0225		2.6303	1.3593	2.3805	3.1910	2.2616	2.0007	2.0007	1.3752
S3	2.6959	2.6303		1.6664	3.5788	2.8255	2.6716	4.4998	4.5001	3.9103
C4	2.0243	1.3593	1.6664		2.0189	2.0259	1.3349	3.0510	3.0511	2.3741
H5	3.3984	2.3805	3.5788	2.0189		1.8004	1.0238	2.7680	2.7680	2.1318
H6	4.0252	3.1910	2.8255	2.0259	1.8004		1.0130	4.2708	4.2710	3.6152
N7	3.1770	2.2616	2.6716	1.3349	1.0238	1.0130		3.2878	3.2876	2.6038
H8	2.5116	2.0007	4.4998	3.0510	2.7680	4.2708	3.2878		1.6812	1.0238
H9	2.5119	2.0007	4.5001	3.0511	2.7680	4.2710	3.2876	1.6812		1.0238
N10	2.1217	1.3752	3.9103	2.3741	2.1318	3.6152	2.6038	1.0238	1.0238

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	115.679	H1	N2	N10	123.816
N2	C4	S3	120.423	N2	C4	N7	114.151
N2	N10	H8	112.193	N2	N10	H9	112.192
S3	C4	N7	125.425	C4	N2	N10	120.505
C4	N7	H5	117.110	C4	N7	H6	118.642
H5	N7	H6	124.248	H8	N10	H9	110.374

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: SVWN/6-311G**

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	0.275
2	N	-0.338
3	S	-0.252
4	C	0.149
5	H	0.239
6	H	0.278
7	N	-0.449
8	H	0.258
9	H	0.258
10	N	-0.419

	x	y	z	Total
	-6.123	0.412	0.003	6.137
CHELPG
AIM
ESP

	x	y	z
x	12.213	-0.637	0.000
y	-0.637	7.773	0.000
z	0.000	0.000	4.185

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: SVWN/6-311G**

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)