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	hartrees
Energy at 0K	-133.533259
Energy at 298.15K	-133.539476
HF Energy	-133.047879
Nuclear repulsion energy	76.162753

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3579	3369	0.24
2	A'	3290	3098	38.17
3	A'	3199	3011	14.00
4	A'	1591	1498	1.96
5	A'	1335	1257	7.71
6	A'	1284	1209	14.05
7	A'	1166	1098	2.29
8	A'	1038	977	14.42
9	A'	910	857	49.82
10	A'	801	754	23.21
11	A"	3278	3086	0.59
12	A"	3191	3004	29.64
13	A"	1555	1464	0.43
14	A"	1313	1237	8.90
15	A"	1195	1125	2.65
16	A"	1151	1084	1.56
17	A"	941	886	12.94
18	A"	900	848	0.12

Atom	x (Å)	y (Å)	z (Å)
N1	-0.038	0.876	0.000
H2	0.900	1.265	0.000
C3	-0.038	-0.397	0.741
C4	-0.038	-0.397	-0.741
H5	-0.952	-0.608	1.281
H6	0.868	-0.706	1.249
H7	-0.952	-0.608	-1.281
H8	0.868	-0.706	-1.249

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0159	1.4731	1.4731	2.1628	2.2094	2.1628	2.2094
H2	1.0159		2.0478	2.0478	2.9292	2.3335	2.9292	2.3335
C3	1.4731	2.0478		1.4821	1.0820	1.0835	2.2289	2.2084
C4	1.4731	2.0478	1.4821		2.2289	2.2084	1.0820	1.0835
H5	2.1628	2.9292	1.0820	2.2289		1.8224	2.5621	3.1181
H6	2.2094	2.3335	1.0835	2.2084	1.8224		3.1181	2.4984
H7	2.1628	2.9292	2.2289	1.0820	2.5621	3.1181		1.8224
H8	2.2094	2.3335	2.2084	1.0835	3.1181	2.4984	1.8224

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.796	N1	C3	H5	114.805
N1	C3	H6	118.799	N1	C4	C3	59.796
N1	C4	H7	114.805	N1	C4	H8	118.799
H2	N1	C3	109.349	H2	N1	C4	109.349
C3	N1	C4	60.407	C3	C4	H7	119.940
C3	C4	H8	117.967	C4	C3	H5	119.940
C4	C3	H6	117.967	H5	C3	H6	114.615
H7	C4	H8	114.615

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: QCISD/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: QCISD/6-31G**

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)