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	hartrees
Energy at 0K	-133.909357
Energy at 298.15K	-133.915443
Nuclear repulsion energy	75.522492

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3373	3363	0.86
2	A'	3112	3103	39.13
3	A'	3031	3022	19.60
4	A'	1482	1478	0.87
5	A'	1269	1265	8.76
6	A'	1188	1185	13.45
7	A'	1075	1071	8.49
8	A'	982	979	6.23
9	A'	830	827	31.08
10	A'	749	746	35.01
11	A"	3098	3089	0.59
12	A"	3028	3019	39.68
13	A"	1462	1457	0.02
14	A"	1235	1231	8.38
15	A"	1122	1119	2.29
16	A"	1075	1072	2.52
17	A"	888	885	11.07
18	A"	792	789	0.02

Atom	x (Å)	y (Å)	z (Å)
N1	-0.038	0.887	0.000
H2	0.908	1.276	0.000
C3	-0.038	-0.403	0.745
C4	-0.038	-0.403	-0.745
H5	-0.960	-0.612	1.286
H6	0.871	-0.715	1.258
H7	-0.960	-0.612	-1.286
H8	0.871	-0.715	-1.258

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0234	1.4897	1.4897	2.1793	2.2306	2.1793	2.2306
H2	1.0234		2.0662	2.0662	2.9506	2.3551	2.9506	2.3551
C3	1.4897	2.0662		1.4908	1.0886	1.0896	2.2407	2.2223
C4	1.4897	2.0662	1.4908		2.2407	2.2223	1.0886	1.0896
H5	2.1793	2.9506	1.0886	2.2407		1.8338	2.5728	3.1364
H6	2.2306	2.3551	1.0896	2.2223	1.8338		3.1364	2.5164
H7	2.1793	2.9506	2.2407	1.0886	2.5728	3.1364		1.8338
H8	2.2306	2.3551	2.2223	1.0896	3.1364	2.5164	1.8338

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.976	N1	C3	H5	114.503
N1	C3	H6	118.904	N1	C4	C3	59.976
N1	C4	H7	114.503	N1	C4	H8	118.904
H2	N1	C3	109.200	H2	N1	C4	109.200
C3	N1	C4	60.048	C3	C4	H7	119.801
C3	C4	H8	118.077	C4	C3	H5	119.801
C4	C3	H6	118.077	H5	C3	H6	114.676
H7	C4	H8	114.676

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: BLYP/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	-0.238
2	H	0.123
3	C	-0.121
4	C	-0.121
5	H	0.090
6	H	0.089
7	H	0.090
8	H	0.089

	x	y	z	Total
	1.239	-1.041	0.000	1.618
CHELPG
AIM
ESP

<r²>	40.340
(<r²>)^1/2	6.351

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: BLYP/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)