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	hartrees
Energy at 0K	-23.909560
Energy at 298.15K	-23.915720
HF Energy	-23.506972
Nuclear repulsion energy	42.770500

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3530	3351	0.45
2	A'	3295	3129	37.24
3	A'	3181	3020	16.66
4	A'	1554	1475	1.21
5	A'	1308	1242	9.32
6	A'	1261	1197	12.38
7	A'	1127	1070	9.49
8	A'	1026	974	9.88
9	A'	887	842	59.91
10	A'	789	749	24.32
11	A"	3283	3117	0.74
12	A"	3174	3014	32.72
13	A"	1514	1437	0.02
14	A"	1283	1218	10.85
15	A"	1166	1107	3.52
16	A"	1097	1041	5.78
17	A"	920	873	13.65
18	A"	863	820	0.01

Atom	x (Å)	y (Å)	z (Å)
N1	-0.039	0.890	0.000
H2	0.921	1.257	0.000
C3	-0.039	-0.405	0.754
C4	-0.039	-0.405	-0.754
H5	-0.973	-0.609	1.288
H6	0.881	-0.707	1.270
H7	-0.973	-0.609	-1.288
H8	0.881	-0.707	-1.270

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0275	1.4986	1.4986	2.1861	2.2382	2.1861	2.2382
H2	1.0275		2.0620	2.0620	2.9542	2.3394	2.9542	2.3394
C3	1.4986	2.0620		1.5083	1.0950	1.0968	2.2551	2.2437
C4	1.4986	2.0620	1.5083		2.2551	2.2437	1.0950	1.0968
H5	2.1861	2.9542	1.0950	2.2551		1.8560	2.5767	3.1607
H6	2.2382	2.3394	1.0968	2.2437	1.8560		3.1607	2.5402
H7	2.1861	2.9542	2.2551	1.0950	2.5767	3.1607		1.8560
H8	2.2382	2.3394	2.2437	1.0968	3.1607	2.5402	1.8560

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.786	N1	C3	H5	113.989
N1	C3	H6	118.345	N1	C4	C3	59.786
N1	C4	H7	113.989	N1	C4	H8	118.345
H2	N1	C3	107.977	H2	N1	C4	107.977
C3	N1	C4	60.428	C3	C4	H7	119.201
C3	C4	H8	118.060	C4	C3	H5	119.201
C4	C3	H6	118.060	H5	C3	H6	115.728
H7	C4	H8	115.728

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: MP2/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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All results from a given calculation for C2H5N (Aziridine)

using model chemistry: MP2/CEP-31G*

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)