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	hartrees
Energy at 0K	-600.479275
Energy at 298.15K	-600.487570
HF Energy	-600.479275
Nuclear repulsion energy	224.483474

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3727	3533	90.44
2	A	3598	3410	36.10
3	A	3588	3401	5.35
4	A	3551	3365	94.76
5	A	3478	3296	1.72
6	A	1740	1649	30.78
7	A	1657	1570	224.54
8	A	1545	1464	177.50
9	A	1490	1412	81.01
10	A	1347	1277	207.49
11	A	1311	1243	1.16
12	A	1191	1128	31.53
13	A	1033	979	29.64
14	A	873	828	26.63
15	A	801	760	188.93
16	A	766	726	192.34
17	A	671	636	65.64
18	A	613	581	259.47
19	A	587	556	7.68
20	A	523	496	2.63
21	A	413	392	3.88
22	A	378	359	32.75
23	A	316	300	14.11
24	A	162	153	10.69

Atom	x (Å)	y (Å)	z (Å)
H1	-0.596	-1.711	0.034
N2	-0.845	-0.730	-0.049
S3	1.776	-0.334	0.011
C4	0.179	0.178	-0.019
H5	-1.210	1.658	-0.013
H6	0.480	2.193	-0.004
N7	-0.215	1.462	-0.002
H8	-2.649	-0.524	0.904
H9	-2.742	-0.574	-0.786
N10	-2.194	-0.271	0.022

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0152	2.7431	2.0426	3.4246	4.0495	3.1958	2.5259	2.5632	2.1509
N2	1.0152		2.6515	1.3691	2.4160	3.2094	2.2811	2.0507	2.0415	1.4267
S3	2.7431	2.6515		1.6773	3.5897	2.8398	2.6816	4.5183	4.5946	3.9704
C4	2.0426	1.3691	1.6773		2.0298	2.0371	1.3431	3.0565	3.1130	2.4154
H5	3.4246	2.4160	3.5897	2.0298		1.7727	1.0140	2.7696	2.8155	2.1653
H6	4.0495	3.2094	2.8398	2.0371	1.7727		1.0088	4.2419	4.3187	3.6357
N7	3.1958	2.2811	2.6816	1.3431	1.0140	1.0088		3.2689	3.3386	2.6300
H8	2.5259	2.0507	4.5183	3.0565	2.7696	4.2419	3.2689		1.6931	1.0242
H9	2.5632	2.0415	4.5946	3.1130	2.8155	4.3187	3.3386	1.6931		1.0226
N10	2.1509	1.4267	3.9704	2.4154	2.1653	3.6357	2.6300	1.0242	1.0226

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	117.116	H1	N2	N10	122.587
N2	C4	S3	120.670	N2	C4	N7	114.492
N2	N10	H8	112.555	N2	N10	H9	111.864
S3	C4	N7	124.835	C4	N2	N10	119.507
C4	N7	H5	118.219	C4	N7	H6	119.343
H5	N7	H6	122.417	H8	N10	H9	111.621

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: wB97X-D/3-21G*

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	0.359
2	N	-0.589
3	S	-0.255
4	C	0.474
5	H	0.354
6	H	0.359
7	N	-0.803
8	H	0.327
9	H	0.327
10	N	-0.553

	x	y	z	Total
	-6.542	0.372	0.001	6.553
CHELPG
AIM
ESP

	x	y	z
x	9.893	-0.672	0.000
y	-0.672	5.932	-0.000
z	0.000	-0.000	3.092

<r²>	161.198
(<r²>)^1/2	12.696

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: wB97X-D/3-21G*

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)