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	hartrees
Energy at 0K	-133.925145
Energy at 298.15K	-133.931326
Nuclear repulsion energy	76.454709

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3528	3392	0.77
2	A'	3202	3079	31.52
3	A'	3116	2996	17.70
4	A'	1523	1464	0.95
5	A'	1303	1253	3.33
6	A'	1249	1201	20.95
7	A'	1116	1073	6.38
8	A'	1005	966	6.45
9	A'	891	857	59.59
10	A'	779	749	22.42
11	A"	3189	3066	0.46
12	A"	3110	2991	33.63
13	A"	1490	1433	0.16
14	A"	1269	1220	9.51
15	A"	1151	1107	2.22
16	A"	1113	1070	2.43
17	A"	919	884	11.93
18	A"	888	854	0.06

Atom	x (Å)	y (Å)	z (Å)
N1	-0.038	0.869	0.000
H2	0.892	1.272	0.000
C3	-0.038	-0.394	0.738
C4	-0.038	-0.394	-0.738
H5	-0.954	-0.606	1.278
H6	0.869	-0.705	1.245
H7	-0.954	-0.606	-1.278
H8	0.869	-0.705	-1.245

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0135	1.4630	1.4630	2.1555	2.2019	2.1555	2.2019
H2	1.0135		2.0457	2.0457	2.9266	2.3357	2.9266	2.3357
C3	1.4630	2.0457		1.4765	1.0836	1.0845	2.2241	2.2030
C4	1.4630	2.0457	1.4765		2.2241	2.2030	1.0836	1.0845
H5	2.1555	2.9266	1.0836	2.2241		1.8257	2.5552	3.1139
H6	2.2019	2.3357	1.0845	2.2030	1.8257		3.1139	2.4903
H7	2.1555	2.9266	2.2241	1.0836	2.5552	3.1139		1.8257
H8	2.2019	2.3357	2.2030	1.0845	3.1139	2.4903	1.8257

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.694	N1	C3	H5	114.842
N1	C3	H6	118.871	N1	C4	C3	59.694
N1	C4	H7	114.842	N1	C4	H8	118.871
H2	N1	C3	110.066	H2	N1	C4	110.066
C3	N1	C4	60.612	C3	C4	H7	119.851
C3	C4	H8	117.866	C4	C3	H5	119.851
C4	C3	H6	117.866	H5	C3	H6	114.719
H7	C4	H8	114.719

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: B3PW91/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	-0.236
2	H	0.123
3	C	-0.131
4	C	-0.131
5	H	0.093
6	H	0.094
7	H	0.093
8	H	0.094

	x	y	z	Total
	1.282	-1.022	0.000	1.640
CHELPG
AIM
ESP

<r²>	39.424
(<r²>)^1/2	6.279

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: B3PW91/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)