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	hartrees
Energy at 0K	-600.103624
Energy at 298.15K	-600.111842
HF Energy	-600.103624
Nuclear repulsion energy	223.344150

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3701	3565	94.17
2	A	3553	3423	34.25
3	A	3540	3410	3.92
4	A	3500	3371	84.85
5	A	3431	3305	0.76
6	A	1734	1670	30.73
7	A	1631	1571	245.15
8	A	1526	1470	180.05
9	A	1501	1446	36.47
10	A	1328	1280	166.55
11	A	1304	1256	1.09
12	A	1178	1135	30.00
13	A	1030	992	16.18
14	A	845	814	30.33
15	A	800	771	158.69
16	A	762	734	173.36
17	A	665	641	83.44
18	A	610	587	266.18
19	A	581	560	0.27
20	A	508	489	2.12
21	A	378	364	4.79
22	A	375	361	29.34
23	A	302	291	15.09
24	A	160	154	11.43

Atom	x (Å)	y (Å)	z (Å)
H1	0.765	-1.407	-0.748
N2	0.898	-0.750	0.028
S3	-1.760	-0.399	0.049
C4	-0.146	0.165	-0.021
H5	0.711	1.927	0.587
H6	-0.767	2.034	-0.164
N7	0.119	1.520	-0.148
H8	2.887	-1.064	0.162
H9	2.425	0.415	0.690
N10	2.270	-0.271	-0.050

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0259	2.8330	1.9571	3.5917	3.8121	3.0571	2.3342	2.8541	2.0109
N2	1.0259		2.6813	1.3895	2.7409	3.2502	2.4067	2.0173	2.0315	1.4550
S3	2.8330	2.6813		1.7116	3.4355	2.6362	2.6928	4.6952	4.3112	4.0330
C4	1.9571	1.3895	1.7116		2.0507	1.9744	1.3859	3.2770	2.6788	2.4548
H5	3.5917	2.7409	3.4355	2.0507		1.6616	1.0277	3.7223	2.2874	2.7687
H6	3.8121	3.2502	2.6362	1.9744	1.6616		1.0249	4.8014	3.6797	3.8147
N7	3.0571	2.4067	2.6928	1.3859	1.0277	1.0249		3.7987	2.6906	2.8006
H8	2.3342	2.0173	4.6952	3.2770	3.7223	4.8014	3.7987		1.6369	1.0263
H9	2.8541	2.0315	4.3112	2.6788	2.2874	3.6797	2.6906	1.6369		1.0211
N10	2.0109	1.4550	4.0330	2.4548	2.7687	3.8147	2.8006	1.0263	1.0211

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	107.291	H1	N2	N10	107.028
N2	C4	S3	119.324	N2	C4	N7	120.261
N2	N10	H8	107.523	N2	N10	H9	108.994
S3	C4	N7	120.407	C4	N2	N10	119.290
C4	N7	H5	115.550	C4	N7	H6	109.053
H5	N7	H6	108.098	H8	N10	H9	106.162

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: HSEh1PBE/3-21G

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	0.358
2	N	-0.566
3	S	-0.087
4	C	0.258
5	H	0.352
6	H	0.360
7	N	-0.782
8	H	0.327
9	H	0.327
10	N	-0.547

	x	y	z	Total
	6.855	0.391	0.000	6.867
CHELPG
AIM
ESP

	x	y	z
x	10.128	0.673	0.000
y	0.673	5.854	0.001
z	0.000	0.001	2.880

<r²>	163.100
(<r²>)^1/2	12.771

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)