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	hartrees
Energy at 0K	-48.489802
Energy at 298.15K	-48.497547
Nuclear repulsion energy	96.857365

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3680	3554	39.98
2	A	3615	3491	52.19
3	A	3559	3437	2.41
4	A	3545	3424	16.53
5	A	3457	3338	1.50
6	A	1688	1630	18.15
7	A	1638	1582	155.63
8	A	1490	1439	205.02
9	A	1419	1371	104.12
10	A	1303	1258	4.99
11	A	1274	1230	149.94
12	A	1176	1136	6.51
13	A	1032	997	42.10
14	A	873	843	141.90
15	A	801	773	20.67
16	A	649	627	43.12
17	A	602	581	221.89
18	A	556	537	69.41
19	A	490	474	19.71
20	A	393	379	84.15
21	A	381	368	40.91
22	A	326	315	61.83
23	A	272	262	18.06
24	A	119	115	9.55

Atom	x (Å)	y (Å)	z (Å)
H1	-0.451	-1.756	-0.027
N2	-0.589	-0.756	-0.158
S3	2.086	-0.691	0.052
C4	0.552	0.012	-0.032
H5	-0.493	1.778	-0.375
H6	1.194	1.930	-0.050
N7	0.343	1.381	0.053
H8	-2.273	0.218	-0.696
H9	-1.918	0.302	0.940
N10	-1.911	-0.301	0.110

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0187	2.7531	2.0337	3.5520	4.0369	3.2377	2.7681	2.7063	2.0653
N2	1.0187		2.6846	1.3818	2.5450	3.2257	2.3412	2.0175	2.0222	1.4226
S3	2.7531	2.6846		1.6894	3.5963	2.7705	2.7077	4.5149	4.2195	4.0160
C4	2.0337	1.3818	1.6894		2.0808	2.0222	1.3874	2.9092	2.6700	2.4868
H5	3.5520	2.5450	3.5963	2.0808		1.7250	1.0203	2.3882	2.4363	2.5629
H6	4.0369	3.2257	2.7705	2.0222	1.7250		1.0176	3.9199	3.6484	3.8265
N7	3.2377	2.3412	2.7077	1.3874	1.0203	1.0176		2.9594	2.6573	2.8132
H8	2.7681	2.0175	4.5149	2.9092	2.3882	3.9199	2.9594		1.6759	1.0247
H9	2.7063	2.0222	4.2195	2.6700	2.4363	3.6484	2.6573	1.6759		1.0262
N10	2.0653	1.4226	4.0160	2.4868	2.5629	3.8265	2.8132	1.0247	1.0262

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	114.975	H1	N2	N10	114.549
N2	C4	S3	121.555	N2	C4	N7	115.436
N2	N10	H8	109.984	N2	N10	H9	110.288
S3	C4	N7	122.989	C4	N2	N10	124.932
C4	N7	H5	118.791	C4	N7	H6	113.566
H5	N7	H6	115.654	H8	N10	H9	109.595

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: B3LYP/CEP-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
1	H	0.354
2	N	-0.109
3	S	-0.509
4	C	-0.111
5	H	0.293
6	H	0.350
7	N	-0.355
8	H	0.277
9	H	0.292
10	N	-0.483

	x	y	z	Total
	-3.970	3.346	-0.731	5.243
CHELPG
AIM
ESP

	x	y	z
x	11.360	-1.687	0.339
y	-1.687	7.212	0.027
z	0.339	0.027	4.129

<r²>	109.707
(<r²>)^1/2	10.474

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)