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	hartrees
Energy at 0K	-24.122428
Energy at 298.15K	-24.128574
Nuclear repulsion energy	43.067501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3563	3410	0.02
2	A'	3244	3105	51.04
3	A'	3151	3017	23.51
4	A'	1528	1462	1.76
5	A'	1291	1236	0.26
6	A'	1256	1202	24.04
7	A'	1105	1057	6.20
8	A'	991	949	6.84
9	A'	906	867	81.45
10	A'	761	728	21.58
11	A"	3229	3091	0.99
12	A"	3145	3010	41.01
13	A"	1478	1414	0.07
14	A"	1266	1212	11.95
15	A"	1127	1079	3.38
16	A"	1084	1037	6.13
17	A"	920	881	0.17
18	A"	907	868	12.95

Atom	x (Å)	y (Å)	z (Å)
N1	-0.038	0.875	0.000
H2	0.906	1.262	0.000
C3	-0.038	-0.396	0.752
C4	-0.038	-0.396	-0.752
H5	-0.966	-0.611	1.291
H6	0.877	-0.707	1.267
H7	-0.966	-0.611	-1.291
H8	0.877	-0.707	-1.267

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0211	1.4766	1.4766	2.1758	2.2240	2.1758	2.2240
H2	1.0211		2.0513	2.0513	2.9464	2.3419	2.9464	2.3419
C3	1.4766	2.0513		1.5037	1.0943	1.0958	2.2541	2.2383
C4	1.4766	2.0513	1.5037		2.2541	2.2383	1.0943	1.0958
H5	2.1758	2.9464	1.0943	2.2541		1.8461	2.5826	3.1545
H6	2.2240	2.3419	1.0958	2.2383	1.8461		3.1545	2.5334
H7	2.1758	2.9464	2.2541	1.0943	2.5826	3.1545		1.8461
H8	2.2240	2.3419	2.2383	1.0958	3.1545	2.5334	1.8461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.390	N1	C3	H5	114.821
N1	C3	H6	118.927	N1	C4	C3	59.390
N1	C4	H7	114.821	N1	C4	H8	118.927
H2	N1	C3	109.064	H2	N1	C4	109.064
C3	N1	C4	61.219	C3	C4	H7	119.535
C3	C4	H8	118.026	C4	C3	H5	119.535
C4	C3	H6	118.026	H5	C3	H6	114.907
H7	C4	H8	114.907

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: B1B95/CEP-31G*

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	-0.244
2	H	0.244
3	C	-0.368
4	C	-0.368
5	H	0.189
6	H	0.178
7	H	0.189
8	H	0.178

	x	y	z	Total
	1.503	-1.200	0.000	1.923
CHELPG
AIM
ESP

	x	y	z
x	3.488	0.196	0.000
y	0.196	3.650	0.000
z	0.000	0.000	4.573

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: B1B95/CEP-31G*

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)