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	hartrees
Energy at 0K	-48.425068
Energy at 298.15K	-48.433053
Nuclear repulsion energy	95.953077

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3755	3636	63.75
2	A	3644	3529	4.41
3	A	3588	3474	20.91
4	A	3569	3456	60.61
5	A	3509	3398	0.44
6	A	1692	1638	27.05
7	A	1616	1565	216.15
8	A	1504	1457	144.64
9	A	1458	1412	99.27
10	A	1286	1245	208.89
11	A	1255	1215	0.08
12	A	1172	1135	19.79
13	A	999	968	28.72
14	A	814	788	38.33
15	A	704	682	67.76
16	A	690	668	237.85
17	A	614	594	368.18
18	A	587	569	63.84
19	A	569	551	40.40
20	A	487	472	2.82
21	A	370	358	1.39
22	A	368	357	27.54
23	A	285	276	10.94
24	A	148	144	9.86

Atom	x (Å)	y (Å)	z (Å)
H1	-0.477	-1.740	-0.001
N2	-0.593	-0.726	-0.000
S3	2.132	-0.741	0.000
C4	0.571	0.039	-0.000
H5	-0.565	1.769	0.000
H6	1.200	1.997	0.001
N7	0.384	1.397	-0.000
H8	-2.406	-0.265	-0.860
H9	-2.406	-0.265	0.861
N10	-1.875	-0.113	0.000

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0205	2.7934	2.0644	3.5094	4.0958	3.2524	2.5760	2.5764	2.1454
N2	1.0205		2.7250	1.3927	2.4946	3.2602	2.3365	2.0592	2.0592	1.4214
S3	2.7934	2.7250		1.7453	3.6845	2.8927	2.7618	4.6438	4.6434	4.0565
C4	2.0644	1.3927	1.7453		2.0694	2.0566	1.3705	3.1140	3.1138	2.4510
H5	3.5094	2.4946	3.6845	2.0694		1.7800	1.0194	2.8751	2.8749	2.2926
H6	4.0958	3.2602	2.8927	2.0566	1.7800		1.0132	4.3436	4.3429	3.7296
N7	3.2524	2.3365	2.7618	1.3705	1.0194	1.0132		3.3595	3.3596	2.7171
H8	2.5760	2.0592	4.6438	3.1140	2.8751	4.3436	3.3595		1.7205	1.0223
H9	2.5764	2.0592	4.6434	3.1138	2.8749	4.3429	3.3596	1.7205		1.0223
N10	2.1454	1.4214	4.0565	2.4510	2.2926	3.7296	2.7171	1.0223	1.0223

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	116.781	H1	N2	N10	122.080
N2	C4	S3	120.127	N2	C4	N7	115.467
N2	N10	H8	113.845	N2	N10	H9	113.838
S3	C4	N7	124.406	C4	N2	N10	121.139
C4	N7	H5	119.241	C4	N7	H6	118.491
H5	N7	H6	122.268	H8	N10	H9	114.597

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: B3LYP/CEP-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	0.337
2	N	-0.160
3	S	-0.293
4	C	-0.290
5	H	0.332
6	H	0.338
7	N	-0.322
8	H	0.281
9	H	0.281
10	N	-0.504

	x	y	z	Total
	-6.205	1.476	0.003	6.378
CHELPG
AIM
ESP

	x	y	z
x	11.185	-1.728	0.002
y	-1.728	6.876	-0.001
z	0.002	-0.001	3.432

<r²>	112.535
(<r²>)^1/2	10.608

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: B3LYP/CEP-31G

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)