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	hartrees
Energy at 0K	-133.487169
Energy at 298.15K	-133.493386
HF Energy	-133.037132
Nuclear repulsion energy	76.070828

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3516	3328	0.10
2	A'	3257	3083	32.86
3	A'	3169	3000	12.16
4	A'	1584	1500	1.18
5	A'	1341	1270	8.34
6	A'	1289	1220	17.82
7	A'	1164	1102	4.06
8	A'	1041	986	13.65
9	A'	919	870	53.78
10	A'	805	762	20.09
11	A"	3245	3072	0.66
12	A"	3161	2992	24.72
13	A"	1546	1463	0.00
14	A"	1317	1247	10.14
15	A"	1189	1126	3.45
16	A"	1147	1085	2.09
17	A"	945	894	13.54
18	A"	916	867	0.33

Atom	x (Å)	y (Å)	z (Å)
N1	-0.038	0.874	0.000
H2	0.901	1.274	0.000
C3	-0.038	-0.397	0.741
C4	-0.038	-0.397	-0.741
H5	-0.956	-0.608	1.285
H6	0.871	-0.707	1.254
H7	-0.956	-0.608	-1.285
H8	0.871	-0.707	-1.254

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0207	1.4713	1.4713	2.1656	2.2135	2.1656	2.2135
H2	1.0207		2.0550	2.0550	2.9396	2.3447	2.9396	2.3447
C3	1.4713	2.0550		1.4828	1.0874	1.0892	2.2345	2.2145
C4	1.4713	2.0550	1.4828		2.2345	2.2145	1.0874	1.0892
H5	2.1656	2.9396	1.0874	2.2345		1.8305	2.5699	3.1295
H6	2.2135	2.3447	1.0892	2.2145	1.8305		3.1295	2.5073
H7	2.1656	2.9396	2.2345	1.0874	2.5699	3.1295		1.8305
H8	2.2135	2.3447	2.2145	1.0892	3.1295	2.5073	1.8305

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.740	N1	C3	H5	114.813
N1	C3	H6	118.897	N1	C4	C3	59.740
N1	C4	H7	114.813	N1	C4	H8	118.897
H2	N1	C3	109.779	H2	N1	C4	109.779
C3	N1	C4	60.520	C3	C4	H7	119.989
C3	C4	H8	118.053	C4	C3	H5	119.989
C4	C3	H6	118.053	H5	C3	H6	114.488
H7	C4	H8	114.488

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: CCD/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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All results from a given calculation for C2H5N (Aziridine)

using model chemistry: CCD/6-31G*

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)