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	hartrees
Energy at 0K	-603.640031
Energy at 298.15K
HF Energy	-603.640031
Nuclear repulsion energy	224.406852

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3722	3594	61.63
2	A	3629	3504	62.37
3	A	3584	3460	32.50
4	A	3568	3444	3.83
5	A	3471	3351	0.97
6	A	1681	1622	12.73
7	A	1625	1569	203.59
8	A	1506	1454	185.62
9	A	1445	1395	123.88
10	A	1294	1249	0.30
11	A	1285	1241	187.16
12	A	1176	1135	3.76
13	A	1014	979	49.94
14	A	844	815	58.81
15	A	716	692	124.21
16	A	661	638	48.35
17	A	576	556	40.15
18	A	507	490	13.47
19	A	502	484	24.69
20	A	388	375	0.11
21	A	364	352	15.46
22	A	292	282	5.09
23	A	133	129	132.81
24	A	73i	70i	61.30

Atom	x (Å)	y (Å)	z (Å)
H1	0.763	-1.393	-0.750
N2	0.896	-0.752	0.031
S3	-1.738	-0.396	0.049
C4	-0.142	0.162	-0.024
H5	0.687	1.885	0.604
H6	-0.777	1.999	-0.138
N7	0.116	1.510	-0.153
H8	2.855	-1.040	0.170
H9	2.380	0.417	0.690
N10	2.238	-0.260	-0.052

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0195	2.8080	1.9399	3.5473	3.7753	3.0341	2.3131	2.8226	1.9872
N2	1.0195		2.6582	1.3840	2.7060	3.2241	2.4000	1.9851	2.0003	1.4314
S3	2.8080	2.6582		1.6921	3.3748	2.5869	2.6661	4.6399	4.2459	3.9794
C4	1.9399	1.3840	1.6921		2.0125	1.9472	1.3789	3.2353	2.6334	2.4171
H5	3.5473	2.7060	3.3748	2.0125		1.6453	1.0198	3.6668	2.2420	2.7264
H6	3.7753	3.2241	2.5869	1.9472	1.6453		1.0177	4.7463	3.6269	3.7682
N7	3.0341	2.4000	2.6661	1.3789	1.0198	1.0177		3.7573	2.6521	2.7655
H8	2.3131	1.9851	4.6399	3.2353	3.6668	4.7463	3.7573		1.6190	1.0198
H9	2.8226	2.0003	4.2459	2.6334	2.2420	3.6269	2.6521	1.6190		1.0144
N10	1.9872	1.4314	3.9794	2.4171	2.7264	3.7682	2.7655	1.0198	1.0144

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	106.644	H1	N2	N10	107.152
N2	C4	S3	119.240	N2	C4	N7	120.606
N2	N10	H8	106.968	N2	N10	H9	108.537
S3	C4	N7	120.149	C4	N2	N10	118.296
C4	N7	H5	113.227	C4	N7	H6	107.730
H5	N7	H6	107.713	H8	N10	H9	105.475

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: B3LYP/TZVP

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	0.272
2	N	-0.204
3	S	-0.305
4	C	0.053
5	H	0.216
6	H	0.259
7	N	-0.351
8	H	0.228
9	H	0.228
10	N	-0.397

	x	y	z	Total
	-4.857	2.761	-0.051	5.588
CHELPG
AIM
ESP

	x	y	z
x	11.981	-0.947	0.011
y	-0.947	7.972	-0.005
z	0.011	-0.005	5.142

<r²>	162.712
(<r²>)^1/2	12.756

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: B3LYP/TZVP

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)