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	hartrees
Energy at 0K	-23.732294
Energy at 298.15K	-23.738423
HF Energy	-23.438475
Nuclear repulsion energy	42.104666

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3372	3292	10.53
2	A'	3222	3145	39.08
3	A'	3098	3024	13.83
4	A'	1526	1490	0.77
5	A'	1280	1249	6.94
6	A'	1216	1186	12.89
7	A'	1133	1105	3.44
8	A'	1004	980	10.94
9	A'	837	817	6.81
10	A'	744	726	69.94
11	A"	3207	3130	1.14
12	A"	3086	3012	28.28
13	A"	1512	1476	0.15
14	A"	1283	1252	14.20
15	A"	1190	1161	6.25
16	A"	1137	1110	4.55
17	A"	922	900	15.88
18	A"	772	753	1.46

Atom	x (Å)	y (Å)	z (Å)
N1	-0.052	0.925	0.000
H2	0.890	1.354	0.000
C3	-0.052	-0.415	0.765
C4	-0.052	-0.415	-0.765
H5	-0.977	-0.615	1.302
H6	0.869	-0.716	1.271
H7	-0.977	-0.615	-1.302
H8	0.869	-0.716	-1.271

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0347	1.5430	1.5430	2.2196	2.2712	2.2196	2.2712
H2	1.0347		2.1446	2.1446	3.0100	2.4290	3.0100	2.4290
C3	1.5430	2.1446		1.5291	1.0890	1.0933	2.2735	2.2544
C4	1.5430	2.1446	1.5291		2.2735	2.2544	1.0890	1.0933
H5	2.2196	3.0100	1.0890	2.2735		1.8493	2.6047	3.1688
H6	2.2712	2.4290	1.0933	2.2544	1.8493		3.1688	2.5421
H7	2.2196	3.0100	2.2735	1.0890	2.6047	3.1688		1.8493
H8	2.2712	2.4290	2.2544	1.0933	3.1688	2.5421	1.8493

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	60.298	N1	C3	H5	113.869
N1	C3	H6	117.960	N1	C4	C3	60.298
N1	C4	H7	113.869	N1	C4	H8	117.960
H2	N1	C3	111.072	H2	N1	C4	111.072
C3	N1	C4	59.404	C3	C4	H7	119.594
C3	C4	H8	117.598	C4	C3	H5	119.594
C4	C3	H6	117.598	H5	C3	H6	115.867
H7	C4	H8	115.867

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: MP2/CEP-121G

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-121G

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)