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	hartrees
Energy at 0K	-24.156561
Energy at 298.15K	-24.162670
Nuclear repulsion energy	42.806471

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3497	3377	1.50
2	A'	3214	3104	57.19
3	A'	3121	3014	24.70
4	A'	1521	1469	1.44
5	A'	1283	1239	8.27
6	A'	1238	1196	13.59
7	A'	1094	1057	9.29
8	A'	998	964	7.59
9	A'	861	832	62.67
10	A'	760	734	27.19
11	A"	3198	3088	1.23
12	A"	3115	3008	47.30
13	A"	1483	1433	0.01
14	A"	1266	1222	10.10
15	A"	1133	1094	3.33
16	A"	1080	1043	6.49
17	A"	900	869	12.37
18	A"	845	816	0.04

Atom	x (Å)	y (Å)	z (Å)
N1	-0.052	0.896	0.000
H2	0.903	1.272	0.000
C3	-0.052	-0.393	0.754
C4	-0.052	-0.393	-0.754
H5	-0.981	-0.604	1.294
H6	0.865	-0.701	1.273
H7	-0.981	-0.604	-1.294
H8	0.865	-0.701	-1.273

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0256	1.4939	1.4939	2.1885	2.2385	2.1885	2.2385
H2	1.0256		2.0620	2.0620	2.9567	2.3477	2.9567	2.3477
C3	1.4939	2.0620		1.5085	1.0954	1.0972	2.2592	2.2458
C4	1.4939	2.0620	1.5085		2.2592	2.2458	1.0954	1.0972
H5	2.1885	2.9567	1.0954	2.2592		1.8490	2.5880	3.1633
H6	2.2385	2.3477	1.0972	2.2458	1.8490		3.1633	2.5453
H7	2.1885	2.9567	2.2592	1.0954	2.5880	3.1633		1.8490
H8	2.2385	2.3477	2.2458	1.0972	3.1633	2.5453	1.8490

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.676	N1	C3	H5	114.511
N1	C3	H6	118.721	N1	C4	C3	59.676
N1	C4	H7	114.511	N1	C4	H8	118.721
H2	N1	C3	108.418	H2	N1	C4	108.418
C3	N1	C4	60.649	C3	C4	H7	119.520
C3	C4	H8	118.194	C4	C3	H5	119.520
C4	C3	H6	118.194	H5	C3	H6	114.984
H7	C4	H8	114.984

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: B3LYP/CEP-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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Number	Element	Mulliken
1	N	-0.260
2	H	0.236
3	C	-0.367
4	C	-0.367
5	H	0.195
6	H	0.183
7	H	0.195
8	H	0.183

	x	y	z	Total
	1.462	-1.270	0.000	1.937
CHELPG
AIM
ESP

	x	y	z
x	3.556	0.208	0.000
y	0.208	3.797	0.000
z	0.000	0.000	4.710

<r²>	35.810
(<r²>)^1/2	5.984

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)