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	hartrees
Energy at 0K	-133.490793
Energy at 298.15K	-133.496998
HF Energy	-133.036893
Nuclear repulsion energy	75.974064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3498	3331	0.42
2	A'	3245	3090	35.70
3	A'	3158	3008	13.42
4	A'	1579	1503	1.28
5	A'	1337	1273	9.31
6	A'	1281	1220	16.02
7	A'	1157	1102	4.15
8	A'	1038	989	13.45
9	A'	909	866	51.66
10	A'	801	762	22.00
11	A"	3233	3078	0.77
12	A"	3150	3000	27.53
13	A"	1542	1469	0.02
14	A"	1312	1249	9.74
15	A"	1186	1129	3.29
16	A"	1141	1086	2.09
17	A"	940	895	13.52
18	A"	899	856	0.13

Atom	x (Å)	y (Å)	z (Å)
N1	-0.039	0.876	0.000
H2	0.903	1.273	0.000
C3	-0.039	-0.398	0.742
C4	-0.039	-0.398	-0.742
H5	-0.957	-0.608	1.286
H6	0.872	-0.708	1.255
H7	-0.957	-0.608	-1.286
H8	0.872	-0.708	-1.255

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0216	1.4745	1.4745	2.1678	2.2165	2.1678	2.2165
H2	1.0216		2.0565	2.0565	2.9411	2.3453	2.9411	2.3453
C3	1.4745	2.0565		1.4835	1.0879	1.0897	2.2357	2.2161
C4	1.4745	2.0565	1.4835		2.2357	2.2161	1.0879	1.0897
H5	2.1678	2.9411	1.0879	2.2357		1.8316	2.5713	3.1318
H6	2.2165	2.3453	1.0897	2.2161	1.8316		3.1318	2.5099
H7	2.1678	2.9411	2.2357	1.0879	2.5713	3.1318		1.8316
H8	2.2165	2.3453	2.2161	1.0897	3.1318	2.5099	1.8316

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.799	N1	C3	H5	114.714
N1	C3	H6	118.861	N1	C4	C3	59.799
N1	C4	H7	114.714	N1	C4	H8	118.861
H2	N1	C3	109.609	H2	N1	C4	109.609
C3	N1	C4	60.402	C3	C4	H7	119.998
C3	C4	H8	118.094	C4	C3	H5	119.998
C4	C3	H6	118.094	H5	C3	H6	114.507
H7	C4	H8	114.507

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)