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	hartrees
Energy at 0K	-601.525705
Energy at 298.15K	-601.533076
HF Energy	-601.525705
Nuclear repulsion energy	226.298757

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3631	3589	84.53
2	A	3512	3472	10.31
3	A	3500	3460	57.49
4	A	3469	3429	18.40
5	A	3409	3370	0.83
6	A	1601	1583	3.55
7	A	1552	1534	288.31
8	A	1472	1455	234.01
9	A	1420	1404	16.01
10	A	1268	1254	91.94
11	A	1228	1214	0.12
12	A	1204	1190	39.27
13	A	1006	994	19.46
14	A	833	823	19.62
15	A	663	655	51.60
16	A	581	574	27.12
17	A	526	520	42.12
18	A	516	510	15.83
19	A	473	467	162.30
20	A	387	382	43.21
21	A	370	366	12.63
22	A	291	288	3.76
23	A	195	193	161.00
24	A	91	90	4.26

Atom	x (Å)	y (Å)	z (Å)
H1	0.740	-1.413	-0.716
N2	0.893	-0.732	0.036
S3	-1.732	-0.400	0.046
C4	-0.154	0.165	-0.018
H5	0.713	1.920	0.575
H6	-0.792	1.997	-0.130
N7	0.109	1.510	-0.148
H8	2.853	-1.059	0.184
H9	2.409	0.429	0.663
N10	2.243	-0.272	-0.060

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0253	2.7785	1.9434	3.5744	3.7837	3.0431	2.3228	2.8421	1.9971
N2	1.0253		2.6458	1.3795	2.7124	3.2109	2.3813	1.9927	2.0103	1.4297
S3	2.7785	2.6458		1.6781	3.4123	2.5811	2.6603	4.6341	4.2687	3.9790
C4	1.9434	1.3795	1.6781		2.0452	1.9425	1.3757	3.2527	2.6653	2.4370
H5	3.5744	2.7124	3.4123	2.0452		1.6633	1.0276	3.6892	2.2606	2.7483
H6	3.7837	3.2109	2.5811	1.9425	1.6633		1.0246	4.7665	3.6516	3.7901
N7	3.0431	2.3813	2.6603	1.3757	1.0276	1.0246		3.7729	2.6675	2.7814
H8	2.3228	1.9927	4.6341	3.2527	3.6892	4.7665	3.7729		1.6250	1.0249
H9	2.8421	2.0103	4.2687	2.6653	2.2606	3.6516	2.6675	1.6250		1.0210
N10	1.9971	1.4297	3.9790	2.4370	2.7483	3.7901	2.7814	1.0249	1.0210

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	106.903	H1	N2	N10	107.735
N2	C4	S3	119.522	N2	C4	N7	119.602
N2	N10	H8	107.402	N2	N10	H9	109.090
S3	C4	N7	120.867	C4	N2	N10	120.329
C4	N7	H5	115.884	C4	N7	H6	107.139
H5	N7	H6	108.290	H8	N10	H9	105.179

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: SVWN/TZVP

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	0.296
2	N	-0.245
3	S	-0.268
4	C	0.037
5	H	0.235
6	H	0.282
7	N	-0.394
8	H	0.260
9	H	0.260
10	N	-0.464

	x	y	z	Total
	4.913	2.510	0.003	5.517
CHELPG
AIM
ESP

	x	y	z
x	12.460	0.971	0.001
y	0.971	8.340	0.000
z	0.001	0.000	5.259

<r²>	159.819
(<r²>)^1/2	12.642

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: SVWN/TZVP

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)