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	hartrees
Energy at 0K	-594.636861
Energy at 298.15K	-594.644617
Nuclear repulsion energy	223.096863

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4203	3431	18.36
2	A	4055	3311	2.11
3	A	3988	3256	39.51
4	A	3981	3251	1.45
5	A	3858	3150	2.79
6	A	1993	1628	8.01
7	A	1886	1540	59.87
8	A	1772	1447	120.62
9	A	1566	1279	86.02
10	A	1544	1261	152.38
11	A	1500	1225	31.28
12	A	1350	1102	29.74
13	A	1239	1011	83.95
14	A	1163	949	56.12
15	A	946	773	24.48
16	A	721	588	107.47
17	A	673	550	127.59
18	A	559	457	288.90
19	A	525	429	1.97
20	A	482	393	17.85
21	A	391	320	11.70
22	A	328	268	31.50
23	A	271	221	49.73
24	A	132	108	10.66

Atom	x (Å)	y (Å)	z (Å)
H1	-0.674	-1.676	0.079
N2	-0.882	-0.724	-0.265
S3	1.742	-0.362	0.049
C4	0.230	0.164	-0.049
H5	-1.111	1.696	-0.332
H6	0.528	2.188	-0.226
N7	-0.182	1.508	0.055
H8	-2.376	-0.509	1.099
H9	-2.867	-0.758	-0.459
N10	-2.185	-0.231	0.116

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0329	2.7498	2.0535	3.4244	4.0577	3.2213	2.3015	2.4372	2.0910
N2	1.0329		2.6672	1.4397	2.4317	3.2358	2.3609	2.0337	1.9945	1.4442
S3	2.7498	2.6672		1.6029	3.5376	2.8374	2.6829	4.2514	4.6534	3.9294
C4	2.0535	1.4397	1.6029		2.0559	2.0539	1.4101	2.9257	3.2577	2.4530
H5	3.4244	2.4317	3.5376	2.0559		1.7141	1.0231	2.9170	3.0207	2.2510
H6	4.0577	3.2358	2.8374	2.0539	1.7141		1.0229	4.1783	4.5012	3.6507
N7	3.2213	2.3609	2.6829	1.4101	1.0231	1.0229		3.1569	3.5507	2.6528
H8	2.3015	2.0337	4.2514	2.9257	2.9170	4.1783	3.1569		1.6529	1.0394
H9	2.4372	1.9945	4.6534	3.2577	3.0207	4.5012	3.5507	1.6529		1.0364
N10	2.0910	1.4442	3.9294	2.4530	2.2510	3.6507	2.6528	1.0394	1.0364

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	111.232	H1	N2	N10	114.132
N2	C4	S3	122.387	N2	C4	N7	111.873
N2	N10	H8	108.857	N2	N10	H9	105.866
S3	C4	N7	125.740	C4	N2	N10	116.552
C4	N7	H5	114.393	C4	N7	H6	114.226
H5	N7	H6	113.813	H8	N10	H9	105.558

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: HF/STO-3G

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	0.179
2	N	-0.265
3	S	-0.062
4	C	0.112
5	H	0.212
6	H	0.192
7	N	-0.402
8	H	0.161
9	H	0.171
10	N	-0.296

	x	y	z	Total
	-2.881	-0.484	0.058	2.922
CHELPG
AIM
ESP

	x	y	z
x	6.688	-0.694	0.187
y	-0.694	3.366	-0.103
z	0.187	-0.103	1.539

<r²>	159.541
(<r²>)^1/2	12.631

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)