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	hartrees
Energy at 0K	-603.457522
Energy at 298.15K	-603.465193
Nuclear repulsion energy	222.221412

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3593	3565	39.27
2	A	3513	3486	39.50
3	A	3442	3416	5.27
4	A	3417	3390	0.36
5	A	3325	3299	3.79
6	A	1639	1626	15.41
7	A	1582	1570	144.56
8	A	1446	1435	158.43
9	A	1390	1380	82.01
10	A	1271	1262	2.31
11	A	1246	1236	121.52
12	A	1131	1123	18.69
13	A	1014	1007	27.31
14	A	841	834	116.20
15	A	784	778	24.89
16	A	627	623	29.39
17	A	576	572	168.21
18	A	523	519	42.42
19	A	484	480	18.95
20	A	403	399	106.71
21	A	377	374	9.64
22	A	315	312	66.12
23	A	269	267	24.89
24	A	121	120	6.97

Atom	x (Å)	y (Å)	z (Å)
H1	-0.599	-1.716	-0.012
N2	-0.867	-0.742	-0.144
S3	1.778	-0.335	0.028
C4	0.166	0.167	-0.037
H5	-1.121	1.768	-0.347
H6	0.543	2.155	-0.075
N7	-0.218	1.490	0.038
H8	-2.652	0.006	-0.710
H9	-2.328	0.161	0.919
N10	-2.242	-0.465	0.106

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0189	2.7492	2.0325	3.5386	4.0364	3.2288	2.7691	2.7164	2.0692
N2	1.0189		2.6813	1.3798	2.5307	3.2225	2.3314	2.0165	2.0198	1.4254
S3	2.7492	2.6813		1.6894	3.6005	2.7809	2.7039	4.5035	4.2303	4.0230
C4	2.0325	1.3798	1.6894		2.0771	2.0238	1.3794	2.9013	2.6707	2.4938
H5	3.5386	2.5307	3.6005	2.0771		1.7299	1.0203	2.3620	2.3745	2.5387
H6	4.0364	3.2225	2.7809	2.0238	1.7299		1.0168	3.9022	3.6337	3.8278
N7	3.2288	2.3314	2.7039	1.3794	1.0203	1.0168		2.9471	2.6445	2.8147
H8	2.7691	2.0165	4.5035	2.9013	2.3620	3.9022	2.9471		1.6684	1.0277
H9	2.7164	2.0198	4.2303	2.6707	2.3745	3.6337	2.6445	1.6684		1.0290
N10	2.0692	1.4254	4.0230	2.4938	2.5387	3.8278	2.8147	1.0277	1.0290

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	115.017	H1	N2	N10	114.653
N2	C4	S3	121.432	N2	C4	N7	115.326
N2	N10	H8	109.506	N2	N10	H9	109.706
S3	C4	N7	123.229	C4	N2	N10	125.477
C4	N7	H5	119.138	C4	N7	H6	114.408
H5	N7	H6	116.251	H8	N10	H9	108.430

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: BLYP/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	0.282
2	N	-0.341
3	S	-0.296
4	C	0.303
5	H	0.229
6	H	0.281
7	N	-0.531
8	H	0.252
9	H	0.253
10	N	-0.431

	x	y	z	Total
	-4.476	2.648	-0.618	5.237
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	164.279
(<r²>)^1/2	12.817

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: BLYP/6-31G**

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)