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	hartrees
Energy at 0K	-603.540401
Energy at 298.15K
HF Energy	-603.540401
Nuclear repulsion energy	224.402310

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3724	3572	74.65
2	A	3559	3414	18.01
3	A	3551	3407	57.83
4	A	3518	3376	0.80
5	A	3432	3293	4.97
6	A	1724	1654	32.11
7	A	1629	1563	233.06
8	A	1531	1469	199.09
9	A	1468	1408	25.64
10	A	1322	1269	0.49
11	A	1299	1246	189.82
12	A	1184	1136	43.24
13	A	1020	979	28.21
14	A	941	903	97.56
15	A	826	792	40.14
16	A	679	651	0.00
17	A	606	581	0.14
18	A	512	491	0.25
19	A	466	447	13.19
20	A	382	367	282.02
21	A	382	366	1.87
22	A	297	285	13.83
23	A	62	60	110.11
24	A	107i	103i	1.43

Atom	x (Å)	y (Å)	z (Å)
H1	-0.614	-1.686	-0.000
N2	-0.863	-0.702	-0.000
S3	1.766	-0.359	0.000
C4	0.169	0.187	-0.000
H5	-1.162	1.751	0.001
H6	0.547	2.182	0.001
N7	-0.183	1.486	-0.000
H8	-2.680	-0.608	0.832
H9	-2.680	-0.608	-0.831
N10	-2.196	-0.271	0.000

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0146	2.7257	2.0306	3.4805	4.0391	3.2016	2.4735	2.4740	2.1224
N2	1.0146		2.6513	1.3622	2.4716	3.2106	2.2917	2.0006	2.0006	1.4016
S3	2.7257	2.6513		1.6881	3.6091	2.8190	2.6841	4.5299	4.5303	3.9634
C4	2.0306	1.3622	1.6881		2.0534	2.0306	1.3458	3.0724	3.0725	2.4091
H5	3.4805	2.4716	3.6091	2.0534		1.7619	1.0140	2.9259	2.9260	2.2713
H6	4.0391	3.2106	2.8190	2.0306	1.7619		1.0085	4.3460	4.3461	3.6799
N7	3.2016	2.2917	2.6841	1.3458	1.0140	1.0085		3.3635	3.3631	2.6722
H8	2.4735	2.0006	4.5299	3.0724	2.9259	4.3460	3.3635		1.6627	1.0192
H9	2.4740	2.0006	4.5303	3.0725	2.9260	4.3461	3.3631	1.6627		1.0192
N10	2.1224	1.4016	3.9634	2.4091	2.2713	3.6799	2.6722	1.0192	1.0192

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	116.616	H1	N2	N10	122.083
N2	C4	S3	120.348	N2	C4	N7	115.612
N2	N10	H8	110.473	N2	N10	H9	110.477
S3	C4	N7	124.040	C4	N2	N10	121.301
C4	N7	H5	120.303	C4	N7	H6	118.504
H5	N7	H6	121.193	H8	N10	H9	109.311

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: TPSSh/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	0.361
2	N	-0.487
3	S	-0.331
4	C	0.373
5	H	0.371
6	H	0.375
7	N	-0.744
8	H	0.342
9	H	0.342
10	N	-0.600

	x	y	z	Total
	-6.070	0.402	0.004	6.084
CHELPG
AIM
ESP

	x	y	z
x	11.129	-0.618	0.000
y	-0.618	7.008	-0.000
z	0.000	-0.000	3.905

<r²>	161.717
(<r²>)^1/2	12.717

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: TPSSh/6-31G*

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)