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	hartrees
Energy at 0K	-133.932657
Energy at 298.15K	-133.938818
Nuclear repulsion energy	76.106768

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3505	3383	0.13
2	A'	3201	3089	34.44
3	A'	3113	3004	16.47
4	A'	1525	1472	1.25
5	A'	1305	1259	5.21
6	A'	1246	1203	18.20
7	A'	1121	1082	4.09
8	A'	1008	973	7.99
9	A'	878	847	46.77
10	A'	769	742	24.94
11	A"	3186	3075	0.42
12	A"	3108	2999	33.31
13	A"	1497	1445	0.02
14	A"	1275	1231	7.95
15	A"	1155	1114	1.62
16	A"	1115	1076	0.92
17	A"	918	886	10.84
18	A"	870	839	0.02

Atom	x (Å)	y (Å)	z (Å)
N1	-0.038	0.874	0.000
H2	0.897	1.272	0.000
C3	-0.038	-0.397	0.742
C4	-0.038	-0.397	-0.742
H5	-0.955	-0.607	1.286
H6	0.870	-0.708	1.252
H7	-0.955	-0.607	-1.286
H8	0.870	-0.708	-1.252

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0164	1.4716	1.4716	2.1648	2.2125	2.1648	2.2125
H2	1.0164		2.0517	2.0517	2.9346	2.3426	2.9346	2.3426
C3	1.4716	2.0517		1.4832	1.0862	1.0870	2.2347	2.2126
C4	1.4716	2.0517	1.4832		2.2347	2.2126	1.0862	1.0870
H5	2.1648	2.9346	1.0862	2.2347		1.8273	2.5715	3.1270
H6	2.2125	2.3426	1.0870	2.2126	1.8273		3.1270	2.5041
H7	2.1648	2.9346	2.2347	1.0862	2.5715	3.1270		1.8273
H8	2.2125	2.3426	2.2126	1.0870	3.1270	2.5041	1.8273

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.740	N1	C3	H5	114.800
N1	C3	H6	118.933	N1	C4	C3	59.740
N1	C4	H7	114.800	N1	C4	H8	118.933
H2	N1	C3	109.748	H2	N1	C4	109.748
C3	N1	C4	60.519	C3	C4	H7	120.066
C3	C4	H8	118.010	C4	C3	H5	120.066
C4	C3	H6	118.010	H5	C3	H6	114.455
H7	C4	H8	114.455

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: B3LYP/6-31G(2df,p)

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	-0.291
2	H	0.231
3	C	-0.203
4	C	-0.203
5	H	0.121
6	H	0.111
7	H	0.121
8	H	0.111

	x	y	z	Total
	1.259	-0.984	0.000	1.598
CHELPG
AIM
ESP

	x	y	z
x	3.907	0.207	0.000
y	0.207	3.774	0.000
z	0.000	0.000	4.535

<r²>	39.579
(<r²>)^1/2	6.291

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)