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	hartrees
Energy at 0K	-603.577917
Energy at 298.15K	-603.585652
HF Energy	-603.577917
Nuclear repulsion energy	225.788030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3770	3607	81.10
2	A	3640	3482	37.47
3	A	3619	3462	66.10
4	A	3612	3455	11.35
5	A	3526	3373	0.49
6	A	1698	1625	51.74
7	A	1629	1558	239.83
8	A	1542	1475	194.15
9	A	1472	1408	31.56
10	A	1317	1260	1.32
11	A	1306	1249	233.44
12	A	1199	1147	20.01
13	A	1033	988	48.45
14	A	908	869	89.54
15	A	832	796	62.76
16	A	682	652	0.20
17	A	618	591	0.19
18	A	524	501	0.96
19	A	513	490	33.15
20	A	404	387	1.49
21	A	385	368	211.80
22	A	306	293	10.37
23	A	239	228	21.64
24	A	82	79	16.55

Atom	x (Å)	y (Å)	z (Å)
H1	-0.617	-1.662	0.034
N2	-0.862	-0.692	-0.073
S3	1.747	-0.366	0.015
C4	0.174	0.189	-0.020
H5	-1.133	1.746	-0.034
H6	0.569	2.166	-0.005
N7	-0.164	1.484	0.000
H8	-2.595	-0.579	0.906
H9	-2.730	-0.636	-0.736
N10	-2.189	-0.265	0.033

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0062	2.6963	2.0137	3.4474	4.0074	3.1791	2.4175	2.4715	2.1024
N2	1.0062		2.6305	1.3606	2.4531	3.1962	2.2864	1.9940	1.9834	1.3979
S3	2.6963	2.6305		1.6684	3.5724	2.7927	2.6604	4.4380	4.5478	3.9371
C4	2.0137	1.3606	1.6684		2.0334	2.0159	1.3391	3.0192	3.1032	2.4066
H5	3.4474	2.4531	3.5724	2.0334		1.7537	1.0048	2.9026	2.9528	2.2721
H6	4.0074	3.1962	2.7927	2.0159	1.7537		1.0007	4.2867	4.3900	3.6763
N7	3.1791	2.2864	2.6604	1.3391	1.0048	1.0007		3.3150	3.4098	2.6761
H8	2.4175	1.9940	4.4380	3.0192	2.9026	4.2867	3.3150		1.6479	1.0126
H9	2.4715	1.9834	4.5478	3.1032	2.9528	4.3900	3.4098	1.6479		1.0111
N10	2.1024	1.3979	3.9371	2.4066	2.2721	3.6763	2.6761	1.0126	1.0111

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	115.787	H1	N2	N10	121.103
N2	C4	S3	120.214	N2	C4	N7	115.754
N2	N10	H8	110.615	N2	N10	H9	109.791
S3	C4	N7	124.032	C4	N2	N10	121.482
C4	N7	H5	119.665	C4	N7	H6	118.268
H5	N7	H6	121.968	H8	N10	H9	109.036

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: wB97X-D/aug-cc-pVTZ

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	-0.039
2	N	0.281
3	S	-0.393
4	C	0.244
5	H	0.123
6	H	0.026
7	N	-0.144
8	H	0.083
9	H	0.083
10	N	-0.264

	x	y	z	Total
	-5.912	0.561	0.001	5.939
CHELPG
AIM
ESP

	x	y	z
x	12.824	-0.386	0.000
y	-0.386	9.849	0.000
z	0.000	0.000	7.108

<r²>	160.728
(<r²>)^1/2	12.678

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)