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	hartrees
Energy at 0K	-603.508731
Energy at 298.15K	-603.516060
HF Energy	-603.508731
Nuclear repulsion energy	224.133818

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3682	3630	68.74
2	A	3505	3455	22.92
3	A	3500	3450	34.11
4	A	3483	3433	2.07
5	A	3392	3344	5.93
6	A	1662	1639	31.30
7	A	1571	1548	222.15
8	A	1475	1454	161.12
9	A	1421	1400	20.28
10	A	1285	1266	2.57
11	A	1265	1247	206.25
12	A	1140	1123	33.67
13	A	989	975	33.88
14	A	879	866	79.32
15	A	805	794	54.38
16	A	654	645	3.03
17	A	590	582	2.58
18	A	508	501	9.89
19	A	485	479	35.77
20	A	385	380	48.18
21	A	367	362	150.62
22	A	290	286	24.60
23	A	105	104	12.07
24	A	67	66	81.67

Atom	x (Å)	y (Å)	z (Å)
H1	-0.607	-1.678	0.044
N2	-0.865	-0.706	-0.093
S3	1.766	-0.358	0.018
C4	0.176	0.189	-0.022
H5	-1.171	1.726	-0.051
H6	0.537	2.186	-0.018
N7	-0.188	1.488	0.001
H8	-2.583	-0.573	0.934
H9	-2.757	-0.658	-0.713
N10	-2.194	-0.269	0.041

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0146	2.7154	2.0249	3.4513	4.0300	3.1939	2.4321	2.4959	2.1214
N2	1.0146		2.6559	1.3740	2.4515	3.2146	2.2982	2.0060	1.9912	1.4054
S3	2.7154	2.6559		1.6820	3.6017	2.8258	2.6883	4.4490	4.5910	3.9610
C4	2.0249	1.3740	1.6820		2.0440	2.0299	1.3498	3.0168	3.1296	2.4145
H5	3.4513	2.4515	3.6017	2.0440		1.7686	1.0125	2.8721	2.9394	2.2446
H6	4.0300	3.2146	2.8258	2.0299	1.7686		1.0061	4.2717	4.4070	3.6730
N7	3.1939	2.2982	2.6883	1.3498	1.0125	1.0061		3.2945	3.4231	2.6677
H8	2.4321	2.0060	4.4490	3.0168	2.8721	4.2717	3.2945		1.6585	1.0203
H9	2.4959	1.9912	4.5910	3.1296	2.9394	4.4070	3.4231	1.6585		1.0178
N10	2.1214	1.4054	3.9610	2.4145	2.2446	3.6730	2.6677	1.0203	1.0178

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	115.394	H1	N2	N10	121.548
N2	C4	S3	120.244	N2	C4	N7	115.476
N2	N10	H8	110.673	N2	N10	H9	109.783
S3	C4	N7	124.280	C4	N2	N10	121.349
C4	N7	H5	119.419	C4	N7	H6	118.353
H5	N7	H6	122.108	H8	N10	H9	108.732

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: B97D3/6-311G**

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	0.255
2	N	-0.303
3	S	-0.289
4	C	0.176
5	H	0.227
6	H	0.260
7	N	-0.412
8	H	0.229
9	H	0.234
10	N	-0.378

	x	y	z	Total
	-5.916	0.521	0.250	5.944
CHELPG
AIM
ESP

	x	y	z
x	12.227	-0.670	0.045
y	-0.670	7.795	-0.023
z	0.045	-0.023	4.205

<r²>	162.379
(<r²>)^1/2	12.743

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: B97D3/6-311G**

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)