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	hartrees
Energy at 0K	-601.612365
Energy at 298.15K	-601.620451
HF Energy	-601.612365
Nuclear repulsion energy	226.372286

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3978	3575	106.32
2	A	3866	3474	51.68
3	A	3838	3448	115.86
4	A	3828	3439	9.42
5	A	3734	3355	3.60
6	A	1867	1678	58.29
7	A	1793	1611	247.36
8	A	1707	1534	214.39
9	A	1595	1433	95.56
10	A	1445	1299	1.39
11	A	1419	1275	263.03
12	A	1302	1170	29.76
13	A	1119	1006	74.18
14	A	1050	944	122.23
15	A	880	790	65.29
16	A	747	671	4.45
17	A	669	601	13.35
18	A	569	511	82.57
19	A	545	489	3.20
20	A	446	401	372.38
21	A	428	385	1.58
22	A	327	294	12.69
23	A	289	259	13.89
24	A	105	94	15.49

Atom	x (Å)	y (Å)	z (Å)
H1	0.762	-1.366	-0.750
N2	0.897	-0.740	0.033
S3	-1.724	-0.403	0.048
C4	-0.141	0.165	-0.023
H5	0.656	1.885	0.605
H6	-0.790	1.989	-0.141
N7	0.099	1.510	-0.150
H8	2.834	-1.041	0.160
H9	2.380	0.399	0.695
N10	2.233	-0.256	-0.054

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0114	2.7832	1.9207	3.5235	3.7458	3.0115	2.2862	2.7962	1.9694
N2	1.0114		2.6425	1.3784	2.6972	3.2121	2.3941	1.9648	1.9839	1.4235
S3	2.7832	2.6425		1.6834	3.3480	2.5748	2.6500	4.6041	4.2318	3.9610
C4	1.9207	1.3784	1.6834		1.9968	1.9386	1.3718	3.2159	2.6323	2.4115
H5	3.5235	2.6972	3.3480	1.9968		1.6296	1.0108	3.6748	2.2784	2.7398
H6	3.7458	3.2121	2.5748	1.9386	1.6296		1.0091	4.7328	3.6433	3.7659
N7	3.0115	2.3941	2.6500	1.3718	1.0108	1.0091		3.7530	2.6748	2.7719
H8	2.2862	1.9648	4.6041	3.2159	3.6748	4.7328	3.7530		1.6013	1.0112
H9	2.7962	1.9839	4.2318	2.6323	2.2784	3.6433	2.6748	1.6013		1.0053
N10	1.9694	1.4235	3.9610	2.4115	2.7398	3.7659	2.7719	1.0112	1.0053

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	105.952	H1	N2	N10	106.737
N2	C4	S3	118.986	N2	C4	N7	121.040
N2	N10	H8	106.372	N2	N10	H9	108.300
S3	C4	N7	119.970	C4	N2	N10	118.774
C4	N7	H5	113.003	C4	N7	H6	108.058
H5	N7	H6	107.561	H8	N10	H9	105.132

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: HF/6-31G*

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	0.415
2	N	-0.591
3	S	-0.390
4	C	0.488
5	H	0.423
6	H	0.423
7	N	-0.867
8	H	0.372
9	H	0.372
10	N	-0.644

	x	y	z	Total
	6.579	0.604	0.000	6.606
CHELPG	-6.655	0.644	0.004	6.686
AIM
ESP	-6.660	0.641	0.004	6.690

	x	y	z
x	9.545	0.623	-0.001
y	0.623	6.146	0.000
z	-0.001	0.000	3.756

<r²>	160.254
(<r²>)^1/2	12.659

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: HF/6-31G*

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)