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	hartrees
Energy at 0K	-133.757049
Energy at 298.15K	-133.763233
HF Energy	-133.617735
Nuclear repulsion energy	76.095461

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3512	3333	0.30
2	A'	3257	3091	36.87
3	A'	3167	3006	15.43
4	A'	1574	1494	1.50
5	A'	1329	1262	6.94
6	A'	1269	1205	17.09
7	A'	1143	1085	5.47
8	A'	1030	978	10.75
9	A'	894	849	47.54
10	A'	788	748	28.65
11	A"	3244	3079	0.81
12	A"	3161	3000	29.94
13	A"	1543	1464	0.11
14	A"	1303	1237	9.02
15	A"	1180	1120	2.92
16	A"	1129	1072	2.36
17	A"	934	887	13.11
18	A"	883	838	0.01

Atom	x (Å)	y (Å)	z (Å)
N1	-0.038	0.875	0.000
H2	0.900	1.272	0.000
C3	-0.038	-0.397	0.741
C4	-0.038	-0.397	-0.741
H5	-0.954	-0.606	1.284
H6	0.869	-0.709	1.251
H7	-0.954	-0.606	-1.284
H8	0.869	-0.709	-1.251

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0186	1.4726	1.4726	2.1637	2.2134	2.1637	2.2134
H2	1.0186		2.0535	2.0535	2.9349	2.3436	2.9349	2.3436
C3	1.4726	2.0535		1.4824	1.0850	1.0867	2.2328	2.2113
C4	1.4726	2.0535	1.4824		2.2328	2.2113	1.0850	1.0867
H5	2.1637	2.9349	1.0850	2.2328		1.8268	2.5688	3.1247
H6	2.2134	2.3436	1.0867	2.2113	1.8268		3.1247	2.5017
H7	2.1637	2.9349	2.2328	1.0850	2.5688	3.1247		1.8268
H8	2.2134	2.3436	2.2113	1.0867	3.1247	2.5017	1.8268

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.779	N1	C3	H5	114.708
N1	C3	H6	118.957	N1	C4	C3	59.779
N1	C4	H7	114.708	N1	C4	H8	118.957
H2	N1	C3	109.690	H2	N1	C4	109.690
C3	N1	C4	60.443	C3	C4	H7	120.040
C3	C4	H8	117.967	C4	C3	H5	120.040
C4	C3	H6	117.967	H5	C3	H6	114.525
H7	C4	H8	114.525

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: B2PLYP/6-31G*

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	-0.564
2	H	0.321
3	C	-0.212
4	C	-0.212
5	H	0.174
6	H	0.159
7	H	0.174
8	H	0.159

	x	y	z
x	3.730	0.210	0.000
y	0.210	3.497	0.000
z	0.000	0.000	4.325

<r²>	39.657
(<r²>)^1/2	6.297

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)