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	hartrees
Energy at 0K	-133.479724
Energy at 298.15K	-133.485990
Nuclear repulsion energy	76.628895

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3681	3378	0.34
2	A'	3351	3075	38.06
3	A'	3259	2990	13.81
4	A'	1626	1492	2.12
5	A'	1360	1248	5.34
6	A'	1322	1213	18.83
7	A'	1200	1101	1.43
8	A'	1057	970	15.17
9	A'	941	863	61.22
10	A'	820	753	22.45
11	A"	3338	3063	0.58
12	A"	3250	2982	30.01
13	A"	1585	1454	0.26
14	A"	1342	1231	9.50
15	A"	1222	1121	2.84
16	A"	1187	1089	1.32
17	A"	965	886	12.94
18	A"	943	865	0.90

Atom	x (Å)	y (Å)	z (Å)
N1	-0.038	0.867	0.000
H2	0.887	1.269	0.000
C3	-0.038	-0.394	0.738
C4	-0.038	-0.394	-0.738
H5	-0.947	-0.606	1.276
H6	0.865	-0.700	1.243
H7	-0.947	-0.606	-1.276
H8	0.865	-0.700	-1.243

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0088	1.4611	1.4611	2.1503	2.1945	2.1503	2.1945
H2	1.0088		2.0413	2.0413	2.9168	2.3288	2.9168	2.3288
C3	1.4611	2.0413		1.4754	1.0774	1.0789	2.2198	2.1983
C4	1.4611	2.0413	1.4754		2.2198	2.1983	1.0774	1.0789
H5	2.1503	2.9168	1.0774	2.2198		1.8143	2.5528	3.1046
H6	2.1945	2.3288	1.0789	2.1983	1.8143		3.1046	2.4863
H7	2.1503	2.9168	2.2198	1.0774	2.5528	3.1046		1.8143
H8	2.1945	2.3288	2.1983	1.0789	3.1046	2.4863	1.8143

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.675	N1	C3	H5	114.956
N1	C3	H6	118.760	N1	C4	C3	59.675
N1	C4	H7	114.956	N1	C4	H8	118.760
H2	N1	C3	110.130	H2	N1	C4	110.130
C3	N1	C4	60.650	C3	C4	H7	120.000
C3	C4	H8	117.934	C4	C3	H5	120.000
C4	C3	H6	117.934	H5	C3	H6	114.580
H7	C4	H8	114.580

All results from a given calculation for C₂H₅N (Aziridine)

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

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)