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	hartrees
Energy at 0K	-47.363221
Energy at 298.15K	-47.371027
Nuclear repulsion energy	98.239550

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3972	3588	87.69
2	A	3859	3487	49.41
3	A	3822	3453	96.53
4	A	3813	3445	6.76
5	A	3725	3366	1.80
6	A	1864	1684	49.45
7	A	1777	1605	230.17
8	A	1687	1524	214.62
9	A	1561	1410	113.72
10	A	1438	1299	1.78
11	A	1393	1259	273.44
12	A	1284	1160	37.47
13	A	1113	1006	108.93
14	A	1048	947	100.56
15	A	869	785	55.52
16	A	730	660	0.00
17	A	658	595	1.40
18	A	538	486	46.40
19	A	536	484	3.33
20	A	418	378	1.53
21	A	413	373	328.16
22	A	319	288	11.89
23	A	227	205	60.08
24	A	38	34	18.70

Atom	x (Å)	y (Å)	z (Å)
H1	-0.517	-1.672	0.000
N2	-0.599	-0.679	-0.002
S3	2.047	-0.773	0.001
C4	0.552	0.028	-0.000
H5	-0.462	1.795	0.001
H6	1.267	1.902	0.002
N7	0.434	1.360	-0.001
H8	-2.360	-0.322	0.819
H9	-2.363	-0.322	-0.816
N10	-1.847	-0.052	0.001

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		0.9971	2.7170	2.0085	3.4676	3.9950	3.1776	2.4274	2.4290	2.0962
N2	0.9971		2.6476	1.3504	2.4773	3.1847	2.2850	1.9759	1.9757	1.3965
S3	2.7170	2.6476		1.6965	3.5902	2.7868	2.6740	4.5056	4.5080	3.9602
C4	2.0085	1.3504	1.6965		2.0368	2.0058	1.3365	3.0457	3.0471	2.4001
H5	3.4676	2.4773	3.5902	2.0368		1.7322	0.9961	2.9590	2.9599	2.3086
H6	3.9950	3.1847	2.7868	2.0058	1.7322		0.9941	4.3330	4.3350	3.6764
N7	3.1776	2.2850	2.6740	1.3365	0.9961	0.9941		3.3630	3.3639	2.6825
H8	2.4274	1.9759	4.5056	3.0457	2.9590	4.3330	3.3630		1.6342	1.0028
H9	2.4290	1.9757	4.5080	3.0471	2.9599	4.3350	3.3639	1.6342		1.0028
N10	2.0962	1.3965	3.9602	2.4001	2.3086	3.6764	2.6825	1.0028	1.0028

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	116.847	H1	N2	N10	121.369
N2	C4	S3	120.248	N2	C4	N7	116.510
N2	N10	H8	109.788	N2	N10	H9	109.777
S3	C4	N7	123.242	C4	N2	N10	121.783
C4	N7	H5	120.964	C4	N7	H6	118.033
H5	N7	H6	121.002	H8	N10	H9	109.133

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: HF/CEP-121G*

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	0.410
2	N	-0.327
3	S	-0.592
4	C	0.300
5	H	0.414
6	H	0.414
7	N	-0.653
8	H	0.357
9	H	0.357
10	N	-0.680

	x	y	z	Total
	-6.366	1.639	0.011	6.573
CHELPG
AIM
ESP

	x	y	z
x	9.992	-1.096	0.002
y	-1.096	7.190	-0.001
z	0.002	-0.001	4.620

<r²>	108.761
(<r²>)^1/2	10.429

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: HF/CEP-121G*

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)