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	hartrees
Energy at 0K	-132.162058
Energy at 298.15K	-132.168045
Nuclear repulsion energy	72.963539

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3422	3166	1.79
2	A'	3284	3039	19.20
3	A'	3259	3016	10.62
4	A'	1584	1465	1.06
5	A'	1399	1294	9.35
6	A'	1251	1157	1.50
7	A'	1142	1056	6.75
8	A'	1017	941	8.73
9	A'	889	822	9.22
10	A'	816	755	5.01
11	A"	3412	3157	0.01
12	A"	3262	3018	1.26
13	A"	1564	1447	0.00
14	A"	1315	1216	3.64
15	A"	1197	1108	0.89
16	A"	1121	1037	0.77
17	A"	908	840	7.74
18	A"	871	806	0.82

Atom	x (Å)	y (Å)	z (Å)
N1	-0.041	0.947	0.000
H2	1.022	1.195	0.000
C3	-0.041	-0.422	0.762
C4	-0.041	-0.422	-0.762
H5	-0.988	-0.641	1.291
H6	0.872	-0.737	1.303
H7	-0.988	-0.641	-1.291
H8	0.872	-0.737	-1.303

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0919	1.5666	1.5666	2.2549	2.3167	2.2549	2.3167
H2	1.0919		2.0801	2.0801	3.0132	2.3357	3.0132	2.3357
C3	1.5666	2.0801		1.5249	1.1063	1.1070	2.2720	2.2804
C4	1.5666	2.0801	1.5249		2.2720	2.2804	1.1063	1.1070
H5	2.2549	3.0132	1.1063	2.2720		1.8623	2.5823	3.1936
H6	2.3167	2.3357	1.1070	2.2804	1.8623		3.1936	2.6066
H7	2.2549	3.0132	2.2720	1.1063	2.5823	3.1936		1.8623
H8	2.3167	2.3357	2.2804	1.1070	3.1936	2.6066	1.8623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	60.876	N1	C3	H5	113.939
N1	C3	H6	119.113	N1	C4	C3	60.876
N1	C4	H7	113.939	N1	C4	H8	119.113
H2	N1	C3	101.475	H2	N1	C4	101.475
C3	N1	C4	58.249	C3	C4	H7	118.548
C3	C4	H8	119.247	C4	C3	H5	118.548
C4	C3	H6	119.247	H5	C3	H6	114.573
H7	C4	H8	114.573

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: BLYP/STO-3G

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	-0.255
2	H	0.145
3	C	-0.112
4	C	-0.112
5	H	0.087
6	H	0.080
7	H	0.087
8	H	0.080

	x	y	z	Total
	1.254	-1.148	0.000	1.700
CHELPG
AIM
ESP

	x	y	z
x	2.217	0.321	0.000
y	0.321	1.999	0.000
z	0.000	0.000	2.531

<r²>	41.253
(<r²>)^1/2	6.423

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)