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	hartrees
Energy at 0K	-603.572731
Energy at 298.15K	-603.580439
HF Energy	-603.572731
Nuclear repulsion energy	225.814007

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3776	3610	83.14
2	A	3641	3481	33.50
3	A	3622	3463	68.78
4	A	3612	3453	8.83
5	A	3526	3371	1.10
6	A	1700	1625	54.03
7	A	1629	1557	245.44
8	A	1545	1477	196.31
9	A	1475	1410	27.13
10	A	1319	1261	0.83
11	A	1310	1252	206.13
12	A	1201	1148	21.75
13	A	1035	989	45.61
14	A	913	873	90.98
15	A	835	798	60.54
16	A	684	654	0.02
17	A	621	594	0.00
18	A	524	501	0.71
19	A	514	491	36.33
20	A	406	388	1.60
21	A	384	367	213.14
22	A	308	294	11.37
23	A	221	211	30.54
24	A	77	74	19.33

Atom	x (Å)	y (Å)	z (Å)
H1	-0.615	-1.662	0.035
N2	-0.861	-0.692	-0.073
S3	1.748	-0.365	0.015
C4	0.175	0.189	-0.020
H5	-1.137	1.741	-0.035
H6	0.566	2.166	-0.006
N7	-0.166	1.483	0.000
H8	-2.593	-0.580	0.906
H9	-2.729	-0.640	-0.735
N10	-2.188	-0.265	0.033

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0064	2.6955	2.0129	3.4430	4.0055	3.1770	2.4162	2.4704	2.1029
N2	1.0064		2.6308	1.3605	2.4486	3.1944	2.2846	1.9927	1.9819	1.3975
S3	2.6955	2.6308		1.6685	3.5722	2.7936	2.6612	4.4368	4.5472	3.9368
C4	2.0129	1.3605	1.6685		2.0319	2.0150	1.3386	3.0182	3.1027	2.4060
H5	3.4430	2.4486	3.5722	2.0319		1.7547	1.0047	2.8975	2.9483	2.2657
H6	4.0055	3.1944	2.7936	2.0150	1.7547		1.0005	4.2836	4.3879	3.6728
N7	3.1770	2.2846	2.6612	1.3386	1.0047	1.0005		3.3120	3.4079	2.6728
H8	2.4162	1.9927	4.4368	3.0182	2.8975	4.2836	3.3120		1.6467	1.0126
H9	2.4704	1.9819	4.5472	3.1027	2.9483	4.3879	3.4079	1.6467		1.0111
N10	2.1029	1.3975	3.9368	2.4060	2.2657	3.6728	2.6728	1.0126	1.0111

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	115.709	H1	N2	N10	121.181
N2	C4	S3	120.233	N2	C4	N7	115.641
N2	N10	H8	110.533	N2	N10	H9	109.695
S3	C4	N7	124.127	C4	N2	N10	121.459
C4	N7	H5	119.564	C4	N7	H6	118.232
H5	N7	H6	122.100	H8	N10	H9	108.919

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: wB97X-D/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	0.164
2	N	-0.079
3	S	-0.425
4	C	0.128
5	H	0.156
6	H	0.168
7	N	-0.167
8	H	0.165
9	H	0.165
10	N	-0.275

	x	y	z	Total
	-5.952	0.561	0.001	5.979
CHELPG
AIM
ESP

	x	y	z
x	11.610	-0.549	0.000
y	-0.549	8.019	0.000
z	0.000	0.000	5.109

<r²>	160.360
(<r²>)^1/2	12.663

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)