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	hartrees
Energy at 0K	-603.567552
Energy at 298.15K
HF Energy	-603.567552
Nuclear repulsion energy	224.340819

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3738	3598	81.50
2	A	3579	3445	30.90
3	A	3558	3424	52.62
4	A	3553	3420	6.84
5	A	3461	3332	1.87
6	A	1696	1632	36.73
7	A	1608	1548	241.33
8	A	1514	1457	191.80
9	A	1446	1392	33.95
10	A	1299	1250	0.88
11	A	1284	1235	224.98
12	A	1166	1123	35.24
13	A	1010	972	34.56
14	A	909	875	105.66
15	A	819	788	46.64
16	A	669	644	0.89
17	A	599	576	5.35
18	A	511	492	0.41
19	A	470	452	7.46
20	A	386	371	254.70
21	A	383	369	1.29
22	A	295	284	11.13
23	A	172	166	53.74
24	A	61i	59i	19.56

Atom	x (Å)	y (Å)	z (Å)
H1	-0.616	-1.686	-0.000
N2	-0.863	-0.702	-0.000
S3	1.765	-0.361	0.000
C4	0.170	0.187	-0.000
H5	-1.153	1.760	0.001
H6	0.556	2.179	0.001
N7	-0.178	1.489	-0.000
H8	-2.687	-0.596	0.833
H9	-2.688	-0.595	-0.833
N10	-2.199	-0.273	0.000

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0137	2.7249	2.0307	3.4876	4.0387	3.2044	2.4846	2.4850	2.1219
N2	1.0137		2.6504	1.3629	2.4798	3.2122	2.2958	2.0087	2.0087	1.4035
S3	2.7249	2.6504		1.6871	3.6084	2.8138	2.6827	4.5362	4.5366	3.9655
C4	2.0307	1.3629	1.6871		2.0558	2.0295	1.3473	3.0774	3.0775	2.4131
H5	3.4876	2.4798	3.6084	2.0558		1.7599	1.0130	2.9320	2.9321	2.2862
H6	4.0387	3.2122	2.8138	2.0295	1.7599		1.0075	4.3490	4.3490	3.6882
N7	3.2044	2.2958	2.6827	1.3473	1.0130	1.0075		3.3673	3.3670	2.6813
H8	2.4846	2.0087	4.5362	3.0774	2.9320	4.3490	3.3673		1.6658	1.0181
H9	2.4850	2.0087	4.5366	3.0775	2.9321	4.3490	3.3670	1.6658		1.0181
N10	2.1219	1.4035	3.9655	2.4131	2.2862	3.6882	2.6813	1.0181	1.0181

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	116.634	H1	N2	N10	121.929
N2	C4	S3	120.308	N2	C4	N7	115.794
N2	N10	H8	111.090	N2	N10	H9	111.094
S3	C4	N7	123.897	C4	N2	N10	121.437
C4	N7	H5	120.495	C4	N7	H6	118.341
H5	N7	H6	121.163	H8	N10	H9	109.789

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: TPSSh/6-31+G**

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	0.332
2	N	-0.052
3	S	-0.303
4	C	-0.040
5	H	0.340
6	H	0.342
7	N	-0.486
8	H	0.318
9	H	0.318
10	N	-0.769

	x	y	z	Total
	-5.901	0.442	0.003	5.917
CHELPG
AIM
ESP

	x	y	z
x	12.659	-0.504	0.000
y	-0.504	8.913	0.000
z	0.000	0.000	5.966

<r²>	162.504
(<r²>)^1/2	12.748

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: TPSSh/6-31+G**

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)