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	hartrees
Energy at 0K	-133.038559
Energy at 298.15K	-133.044879
HF Energy	-133.038559
Nuclear repulsion energy	77.019523

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3776	3393	1.76
2	A'	3392	3048	53.85
3	A'	3306	2971	17.93
4	A'	1686	1515	2.64
5	A'	1411	1267	11.58
6	A'	1370	1231	18.69
7	A'	1254	1127	0.42
8	A'	1093	982	20.08
9	A'	970	871	77.61
10	A'	849	763	25.31
11	A"	3377	3034	1.36
12	A"	3295	2961	43.76
13	A"	1642	1476	0.49
14	A"	1404	1261	9.92
15	A"	1272	1143	2.60
16	A"	1252	1125	0.65
17	A"	1012	909	10.93
18	A"	977	878	3.83

Atom	x (Å)	y (Å)	z (Å)
N1	-0.037	0.857	0.000
H2	0.866	1.286	0.000
C3	-0.037	-0.391	0.736
C4	-0.037	-0.391	-0.736
H5	-0.942	-0.601	1.278
H6	0.865	-0.691	1.242
H7	-0.942	-0.601	-1.278
H8	0.865	-0.691	-1.242

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0006	1.4488	1.4488	2.1395	2.1801	2.1395	2.1801
H2	1.0006		2.0426	2.0426	2.9097	2.3349	2.9097	2.3349
C3	1.4488	2.0426		1.4715	1.0755	1.0773	2.2175	2.1943
C4	1.4488	2.0426	1.4715		2.2175	2.1943	1.0755	1.0773
H5	2.1395	2.9097	1.0755	2.2175		1.8099	2.5557	3.1021
H6	2.1801	2.3349	1.0773	2.1943	1.8099		3.1021	2.4835
H7	2.1395	2.9097	2.2175	1.0755	2.5557	3.1021		1.8099
H8	2.1801	2.3349	2.1943	1.0773	3.1021	2.4835	1.8099

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.480	N1	C3	H5	115.097
N1	C3	H6	118.577	N1	C4	C3	59.480
N1	C4	H7	115.097	N1	C4	H8	118.577
H2	N1	C3	111.698	H2	N1	C4	111.698
C3	N1	C4	61.039	C3	C4	H7	120.271
C3	C4	H8	118.014	C4	C3	H5	120.271
C4	C3	H6	118.014	H5	C3	H6	114.439
H7	C4	H8	114.439

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: HF/6-31G*

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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	x	y	Total
	1.485	-1.256	1.945
CHELPG	1.438	-1.257	1.910
AIM	0.016	1.035	1.035
ESP	1.468	-1.263	1.937

Number	Element	Mulliken
1	N	-0.626
2	H	0.346
3	C	-0.220
4	C	-0.220
5	H	0.188
6	H	0.172
7	H	0.188
8	H	0.172

	x	y	z
x	3.574	0.201	-0.001
y	0.201	3.360	-0.008
z	-0.001	-0.008	4.252

<r²>	39.094
(<r²>)^1/2	6.252

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: HF/6-31G*

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)