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	hartrees
Energy at 0K	-603.531367
Energy at 298.15K	-603.539058
Nuclear repulsion energy	222.344874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3581	3572	32.87
2	A	3508	3499	35.74
3	A	3439	3431	3.81
4	A	3422	3414	0.49
5	A	3338	3330	4.16
6	A	1685	1681	19.82
7	A	1618	1614	137.48
8	A	1468	1464	120.37
9	A	1389	1385	119.20
10	A	1292	1289	1.54
11	A	1253	1250	148.32
12	A	1134	1132	24.00
13	A	1013	1010	42.62
14	A	837	835	127.74
15	A	784	782	27.75
16	A	633	631	63.62
17	A	581	579	148.34
18	A	526	525	51.43
19	A	484	483	18.67
20	A	408	407	116.48
21	A	378	378	8.34
22	A	314	313	70.39
23	A	267	267	29.00
24	A	119	118	7.21

Atom	x (Å)	y (Å)	z (Å)
H1	-0.604	-1.712	-0.022
N2	-0.868	-0.738	-0.149
S3	1.777	-0.337	0.030
C4	0.165	0.169	-0.041
H5	-1.115	1.776	-0.344
H6	0.544	2.159	-0.063
N7	-0.213	1.490	0.034
H8	-2.669	-0.012	-0.702
H9	-2.332	0.150	0.928
N10	-2.239	-0.463	0.111

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0167	2.7497	2.0317	3.5400	4.0376	3.2261	2.7592	2.7114	2.0613
N2	1.0167		2.6805	1.3782	2.5340	3.2236	2.3294	2.0192	2.0222	1.4223
S3	2.7497	2.6805		1.6910	3.6012	2.7859	2.7018	4.5171	4.2334	4.0183
C4	2.0317	1.3782	1.6910		2.0770	2.0262	1.3765	2.9153	2.6777	2.4898
H5	3.5400	2.5340	3.6012	2.0770		1.7250	1.0188	2.3963	2.3967	2.5466
H6	4.0376	3.2236	2.7859	2.0262	1.7250		1.0147	3.9297	3.6447	3.8271
N7	3.2261	2.3294	2.7018	1.3765	1.0188	1.0147		2.9713	2.6611	2.8148
H8	2.7592	2.0192	4.5171	2.9153	2.3963	3.9297	2.9713		1.6721	1.0240
H9	2.7114	2.0222	4.2334	2.6777	2.3967	3.6447	2.6611	1.6721		1.0256
N10	2.0613	1.4223	4.0183	2.4898	2.5466	3.8271	2.8148	1.0240	1.0256

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	115.232	H1	N2	N10	114.351
N2	C4	S3	121.367	N2	C4	N7	115.468
N2	N10	H8	110.202	N2	N10	H9	110.357
S3	C4	N7	123.148	C4	N2	N10	125.506
C4	N7	H5	119.508	C4	N7	H6	115.009
H5	N7	H6	116.055	H8	N10	H9	109.345

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: BLYP/6-311G*

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	0.373
2	N	-0.381
3	S	-0.254
4	C	0.217
5	H	0.302
6	H	0.369
7	N	-0.677
8	H	0.324
9	H	0.325
10	N	-0.598

	x	y	z	Total
	-4.609	2.715	-0.615	5.385
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>	164.838
(<r²>)^1/2	12.839

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: BLYP/6-311G*

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)