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	hartrees
Energy at 0K	-601.651393
Energy at 298.15K	-601.659498
Nuclear repulsion energy	226.866596

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3988	3611	100.99
2	A	3872	3506	53.09
3	A	3840	3477	105.29
4	A	3821	3460	12.39
5	A	3729	3376	3.79
6	A	1839	1665	58.27
7	A	1767	1600	241.26
8	A	1688	1529	202.30
9	A	1578	1429	77.38
10	A	1434	1298	1.21
11	A	1405	1272	250.00
12	A	1293	1170	23.07
13	A	1109	1004	73.51
14	A	1025	929	116.42
15	A	877	794	60.67
16	A	747	677	2.20
17	A	673	610	10.03
18	A	576	521	51.39
19	A	546	495	3.23
20	A	426	386	278.73
21	A	426	386	1.61
22	A	326	295	12.67
23	A	291	263	10.55
24	A	110	100	11.29

Atom	x (Å)	y (Å)	z (Å)
H1	-0.624	-1.645	-0.000
N2	-0.861	-0.681	-0.000
S3	1.745	-0.367	-0.000
C4	0.158	0.189	-0.000
H5	-1.108	1.763	0.001
H6	0.577	2.137	0.001
N7	-0.159	1.476	-0.000
H8	-2.650	-0.602	0.817
H9	-2.651	-0.601	-0.816
N10	-2.181	-0.269	0.000

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		0.9928	2.6918	1.9940	3.4425	3.9685	3.1558	2.4214	2.4217	2.0786
N2	0.9928		2.6247	1.3399	2.4567	3.1640	2.2686	1.9688	1.9688	1.3832
S3	2.6918	2.6247		1.6814	3.5603	2.7625	2.6497	4.4767	4.4769	3.9272
C4	1.9940	1.3399	1.6814		2.0201	1.9927	1.3256	3.0298	3.0298	2.3833
H5	3.4425	2.4567	3.5603	2.0201		1.7265	0.9915	2.9388	2.9388	2.2973
H6	3.9685	3.1640	2.7625	1.9927	1.7265		0.9895	4.3111	4.3111	3.6599
N7	3.1558	2.2686	2.6497	1.3256	0.9915	0.9895		3.3453	3.3451	2.6705
H8	2.4214	1.9688	4.4767	3.0298	2.9388	4.3111	3.3453		1.6330	0.9991
H9	2.4217	1.9688	4.4769	3.0298	2.9388	4.3111	3.3451	1.6330		0.9991
N10	2.0786	1.3832	3.9272	2.3833	2.2973	3.6599	2.6705	0.9991	0.9991

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	116.689	H1	N2	N10	121.177
N2	C4	S3	120.202	N2	C4	N7	116.661
N2	N10	H8	110.430	N2	N10	H9	110.429
S3	C4	N7	123.137	C4	N2	N10	122.134
C4	N7	H5	120.662	C4	N7	H6	118.068
H5	N7	H6	121.270	H8	N10	H9	109.628

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: HF/6-31G(2df,p)

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	0.322
2	N	-0.404
3	S	-0.569
4	C	0.510
5	H	0.322
6	H	0.331
7	N	-0.610
8	H	0.295
9	H	0.295
10	N	-0.492

	x	y	z	Total
	-6.443	0.714	0.003	6.482
CHELPG
AIM
ESP

	x	y	z
x	9.979	-0.481	0.000
y	-0.481	6.859	0.000
z	0.000	0.000	4.660

<r²>	159.541
(<r²>)^1/2	12.631

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: HF/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)