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	hartrees
Energy at 0K	-603.239957
Energy at 298.15K	-603.247214
HF Energy	-603.239957
Nuclear repulsion energy	224.400900

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3655	3611	72.14
2	A	3485	3443	18.01
3	A	3478	3436	38.63
4	A	3459	3417	4.10
5	A	3378	3338	4.04
6	A	1634	1615	31.17
7	A	1543	1525	226.82
8	A	1456	1439	166.91
9	A	1405	1388	11.05
10	A	1263	1247	2.41
11	A	1247	1232	162.76
12	A	1133	1119	28.84
13	A	985	973	28.18
14	A	862	851	72.41
15	A	802	792	51.83
16	A	647	639	2.03
17	A	593	586	1.45
18	A	506	500	2.45
19	A	481	475	24.32
20	A	373	369	13.53
21	A	357	352	148.09
22	A	286	283	15.83
23	A	111	110	47.35
24	A	54	53	27.68

Atom	x (Å)	y (Å)	z (Å)
H1	-0.611	-1.673	0.035
N2	-0.867	-0.695	-0.074
S3	1.754	-0.372	0.015
C4	0.181	0.192	-0.019
H5	-1.139	1.764	-0.035
H6	0.582	2.184	-0.008
N7	-0.159	1.499	0.000
H8	-2.620	-0.579	0.914
H9	-2.756	-0.644	-0.740
N10	-2.204	-0.268	0.032

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0173	2.6994	2.0268	3.4786	4.0381	3.2044	2.4503	2.5021	2.1243
N2	1.0173		2.6419	1.3731	2.4743	3.2235	2.3059	2.0156	2.0040	1.4077
S3	2.6994	2.6419		1.6718	3.5971	2.8128	2.6765	4.4700	4.5808	3.9593
C4	2.0268	1.3731	1.6718		2.0532	2.0327	1.3510	3.0507	3.1373	2.4288
H5	3.4786	2.4743	3.5971	2.0532		1.7717	1.0156	2.9298	2.9854	2.2949
H6	4.0381	3.2235	2.8128	2.0327	1.7717		1.0096	4.3283	4.4360	3.7111
N7	3.2044	2.3059	2.6765	1.3510	1.0156	1.0096		3.3475	3.4472	2.7020
H8	2.4503	2.0156	4.4700	3.0507	2.9298	4.3283	3.3475		1.6614	1.0234
H9	2.5021	2.0040	4.5808	3.1373	2.9854	4.4360	3.4472	1.6614		1.0217
N10	2.1243	1.4077	3.9593	2.4288	2.2949	3.7111	2.7020	1.0234	1.0217

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	115.158	H1	N2	N10	121.487
N2	C4	S3	120.057	N2	C4	N7	115.668
N2	N10	H8	111.019	N2	N10	H9	110.139
S3	C4	N7	124.275	C4	N2	N10	121.712
C4	N7	H5	119.684	C4	N7	H6	118.162
H5	N7	H6	122.046	H8	N10	H9	108.653

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: PBEPBE/Def2TZVPP

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	0.165
2	N	-0.109
3	S	-0.410
4	C	0.187
5	H	0.162
6	H	0.187
7	N	-0.229
8	H	0.176
9	H	0.182
10	N	-0.312

	x	y	z	Total
	-5.486	0.468	0.191	5.510
CHELPG
AIM
ESP

	x	y	z
x	12.825	-0.495	0.017
y	-0.495	8.947	-0.019
z	0.017	-0.019	5.765

<r²>	162.078
(<r²>)^1/2	12.731

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)