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	hartrees
Energy at 0K	-133.441626
Energy at 298.15K	-133.447880
HF Energy	-133.038004
Nuclear repulsion energy	76.447488

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3612	3344	0.26
2	A'	3319	3072	35.98
3	A'	3231	2991	13.22
4	A'	1617	1497	1.53
5	A'	1363	1262	7.32
6	A'	1319	1221	19.89
7	A'	1192	1103	2.60
8	A'	1059	980	14.96
9	A'	939	870	62.06
10	A'	820	759	21.37
11	A"	3306	3060	0.73
12	A"	3221	2982	28.21
13	A"	1576	1459	0.02
14	A"	1342	1242	10.13
15	A"	1215	1125	3.34
16	A"	1178	1091	1.78
17	A"	965	893	13.52
18	A"	939	869	0.83

Atom	x (Å)	y (Å)	z (Å)
N1	-0.038	0.868	0.000
H2	0.890	1.275	0.000
C3	-0.038	-0.395	0.738
C4	-0.038	-0.395	-0.738
H5	-0.951	-0.605	1.280
H6	0.868	-0.702	1.248
H7	-0.951	-0.605	-1.280
H8	0.868	-0.702	-1.248

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0137	1.4634	1.4634	2.1546	2.2009	2.1546	2.2009
H2	1.0137		2.0486	2.0486	2.9264	2.3379	2.9264	2.3379
C3	1.4634	2.0486		1.4768	1.0822	1.0839	2.2253	2.2049
C4	1.4634	2.0486	1.4768		2.2253	2.2049	1.0822	1.0839
H5	2.1546	2.9264	1.0822	2.2253		1.8219	2.5602	3.1163
H6	2.2009	2.3379	1.0839	2.2049	1.8219		3.1163	2.4965
H7	2.1546	2.9264	2.2253	1.0822	2.5602	3.1163		1.8219
H8	2.2009	2.3379	2.2049	1.0839	3.1163	2.4965	1.8219

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.695	N1	C3	H5	114.828
N1	C3	H6	118.785	N1	C4	C3	59.695
N1	C4	H7	114.828	N1	C4	H8	118.785
H2	N1	C3	110.263	H2	N1	C4	110.263
C3	N1	C4	60.610	C3	C4	H7	120.038
C3	C4	H8	118.057	C4	C3	H5	120.038
C4	C3	H6	118.057	H5	C3	H6	114.522
H7	C4	H8	114.522

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)