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	hartrees
Energy at 0K	-133.925230
Energy at 298.15K	-133.931422
Nuclear repulsion energy	76.460423

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3554	3400	0.36
2	A'	3221	3082	37.38
3	A'	3131	2996	17.04
4	A'	1536	1469	0.94
5	A'	1312	1255	1.28
6	A'	1262	1207	22.96
7	A'	1124	1076	7.90
8	A'	1009	965	5.65
9	A'	902	863	63.57
10	A'	783	749	23.49
11	A"	3207	3069	0.65
12	A"	3124	2989	33.56
13	A"	1499	1434	0.32
14	A"	1280	1224	10.69
15	A"	1155	1105	3.06
16	A"	1112	1064	3.75
17	A"	926	886	13.33
18	A"	906	866	0.01

Atom	x (Å)	y (Å)	z (Å)
N1	-0.038	0.868	0.000
H2	0.893	1.267	0.000
C3	-0.038	-0.393	0.739
C4	-0.038	-0.393	-0.739
H5	-0.953	-0.606	1.280
H6	0.870	-0.706	1.245
H7	-0.953	-0.606	-1.280
H8	0.870	-0.706	-1.245

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0135	1.4616	1.4616	2.1557	2.2023	2.1557	2.2023
H2	1.0135		2.0419	2.0419	2.9250	2.3324	2.9250	2.3324
C3	1.4616	2.0419		1.4782	1.0839	1.0855	2.2266	2.2043
C4	1.4616	2.0419	1.4782		2.2266	2.2043	1.0839	1.0855
H5	2.1557	2.9250	1.0839	2.2266		1.8264	2.5591	3.1157
H6	2.2023	2.3324	1.0855	2.2043	1.8264		3.1157	2.4899
H7	2.1557	2.9250	2.2266	1.0839	2.5591	3.1157		1.8264
H8	2.2023	2.3324	2.2043	1.0855	3.1157	2.4899	1.8264

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.623	N1	C3	H5	114.939
N1	C3	H6	118.940	N1	C4	C3	59.623
N1	C4	H7	114.939	N1	C4	H8	118.940
H2	N1	C3	109.853	H2	N1	C4	109.853
C3	N1	C4	60.754	C3	C4	H7	119.906
C3	C4	H8	117.774	C4	C3	H5	119.906
C4	C3	H6	117.774	H5	C3	H6	114.679
H7	C4	H8	114.679

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: mPW1PW91/6-311G**

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	-0.352
2	H	0.206
3	C	-0.197
4	C	-0.197
5	H	0.140
6	H	0.130
7	H	0.140
8	H	0.130

	x	y	z	Total
	1.354	-1.085	0.000	1.735
CHELPG
AIM
ESP

	x	y	z
x	3.932	0.179	0.000
y	0.179	3.854	0.000
z	0.000	0.000	4.658

<r²>	39.389
(<r²>)^1/2	6.276

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: mPW1PW91/6-311G**

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)