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	hartrees
Energy at 0K	-133.781808
Energy at 298.15K	-133.787912
Nuclear repulsion energy	75.722822

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3406	3375	0.31
2	A'	3124	3095	40.07
3	A'	3037	3010	19.23
4	A'	1476	1463	0.78
5	A'	1270	1259	2.63
6	A'	1210	1199	18.79
7	A'	1073	1063	11.96
8	A'	974	965	2.88
9	A'	860	852	49.27
10	A'	748	741	25.60
11	A"	3110	3082	0.71
12	A"	3032	3005	35.98
13	A"	1447	1433	0.15
14	A"	1233	1222	10.26
15	A"	1110	1100	2.95
16	A"	1055	1046	4.47
17	A"	889	881	12.02
18	A"	848	840	0.29

Atom	x (Å)	y (Å)	z (Å)
N1	-0.039	0.881	0.000
H2	0.912	1.264	0.000
C3	-0.039	-0.398	0.744
C4	-0.039	-0.398	-0.744
H5	-0.963	-0.610	1.288
H6	0.875	-0.717	1.256
H7	-0.963	-0.610	-1.288
H8	0.875	-0.717	-1.256

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0253	1.4792	1.4792	2.1759	2.2281	2.1759	2.2281
H2	1.0253		2.0543	2.0543	2.9472	2.3461	2.9472	2.3461
C3	1.4792	2.0543		1.4885	1.0930	1.0946	2.2427	2.2217
C4	1.4792	2.0543	1.4885		2.2427	2.2217	1.0930	1.0946
H5	2.1759	2.9472	1.0930	2.2427		1.8409	2.5766	3.1399
H6	2.2281	2.3461	1.0946	2.2217	1.8409		3.1399	2.5111
H7	2.1759	2.9472	2.2427	1.0930	2.5766	3.1399		1.8409
H8	2.2281	2.3461	2.2217	1.0946	3.1399	2.5111	1.8409

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.791	N1	C3	H5	114.717
N1	C3	H6	119.169	N1	C4	C3	59.791
N1	C4	H7	114.717	N1	C4	H8	119.169
H2	N1	C3	108.865	H2	N1	C4	108.865
C3	N1	C4	60.419	C3	C4	H7	119.851
C3	C4	H8	117.847	C4	C3	H5	119.851
C4	C3	H6	117.847	H5	C3	H6	114.604
H7	C4	H8	114.604

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: PBEPBE/6-311G**

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	-0.325
2	H	0.201
3	C	-0.206
4	C	-0.206
5	H	0.139
6	H	0.128
7	H	0.139
8	H	0.128

	x	y	z	Total
	1.309	-1.039	0.000	1.671
CHELPG
AIM
ESP

	x	y	z
x	4.126	0.179	0.000
y	0.179	4.017	0.000
z	0.000	0.000	4.825

<r²>	40.042
(<r²>)^1/2	6.328

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: PBEPBE/6-311G**

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)