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	hartrees
Energy at 0K	-133.243982
Energy at 298.15K	-133.250104
Nuclear repulsion energy	76.599187

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3442	3408	2.49
2	A'	3125	3095	20.18
3	A'	3038	3008	17.00
4	A'	1462	1447	0.86
5	A'	1281	1269	0.83
6	A'	1210	1198	25.25
7	A'	1072	1062	10.10
8	A'	961	952	1.71
9	A'	884	875	68.27
10	A'	747	740	22.90
11	A"	3113	3083	0.35
12	A"	3033	3004	24.35
13	A"	1420	1406	1.20
14	A"	1220	1208	10.52
15	A"	1101	1090	2.80
16	A"	1059	1049	4.39
17	A"	906	898	1.01
18	A"	886	877	11.59

Atom	x (Å)	y (Å)	z (Å)
N1	-0.038	0.861	0.000
H2	0.894	1.281	0.000
C3	-0.038	-0.389	0.736
C4	-0.038	-0.389	-0.736
H5	-0.960	-0.607	1.280
H6	0.877	-0.711	1.241
H7	-0.960	-0.607	-1.280
H8	0.877	-0.711	-1.241

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0224	1.4511	1.4511	2.1548	2.2020	2.1548	2.2020
H2	1.0224		2.0498	2.0498	2.9395	2.3472	2.9395	2.3472
C3	1.4511	2.0498		1.4720	1.0924	1.0932	2.2272	2.2018
C4	1.4511	2.0498	1.4720		2.2272	2.2018	1.0924	1.0932
H5	2.1548	2.9395	1.0924	2.2272		1.8404	2.5592	3.1205
H6	2.2020	2.3472	1.0932	2.2018	1.8404		3.1205	2.4814
H7	2.1548	2.9395	2.2272	1.0924	2.5592	3.1205		1.8404
H8	2.2020	2.3472	2.2018	1.0932	3.1205	2.4814	1.8404

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.524	N1	C3	H5	115.080
N1	C3	H6	119.199	N1	C4	C3	59.524
N1	C4	H7	115.080	N1	C4	H8	119.199
H2	N1	C3	110.733	H2	N1	C4	110.733
C3	N1	C4	60.952	C3	C4	H7	119.844
C3	C4	H8	117.496	C4	C3	H5	119.844
C4	C3	H6	117.496	H5	C3	H6	114.717
H7	C4	H8	114.717

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: SVWN/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	N	-0.211
2	H	0.139
3	C	-0.193
4	C	-0.193
5	H	0.114
6	H	0.116
7	H	0.114
8	H	0.116

	x	y	z	Total
	1.300	-0.947	0.000	1.608
CHELPG
AIM
ESP

	x	y	z
x	4.386	0.131	0.000
y	0.131	4.371	0.000
z	0.000	0.000	5.071

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: SVWN/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)