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	hartrees
Energy at 0K	-133.100278
Energy at 298.15K	-133.106255
Nuclear repulsion energy	73.643882

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	3148	43.76
2	A'	3135	3114	1.85
3	A'	3061	3041	10.70
4	A'	1510	1500	0.62
5	A'	1292	1284	14.53
6	A'	1125	1118	13.72
7	A'	1050	1043	14.77
8	A'	969	963	3.40
9	A'	809	804	0.52
10	A'	668	664	38.34
11	A"	3141	3121	0.79
12	A"	3056	3037	23.39
13	A"	1501	1491	0.09
14	A"	1239	1231	6.51
15	A"	1135	1127	5.02
16	A"	1057	1050	8.24
17	A"	855	849	11.78
18	A"	714	710	0.15

Atom	x (Å)	y (Å)	z (Å)
N1	-0.040	0.934	0.000
H2	0.952	1.278	0.000
C3	-0.040	-0.423	0.758
C4	-0.040	-0.423	-0.758
H5	-0.971	-0.623	1.290
H6	0.871	-0.747	1.269
H7	-0.971	-0.623	-1.290
H8	0.871	-0.747	-1.269

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0495	1.5545	1.5545	2.2254	2.2942	2.2254	2.2942
H2	1.0495		2.1102	2.1102	2.9954	2.3910	2.9954	2.3910
C3	1.5545	2.1102		1.5168	1.0903	1.0930	2.2586	2.2457
C4	1.5545	2.1102	1.5168		2.2586	2.2457	1.0903	1.0930
H5	2.2254	2.9954	1.0903	2.2586		1.8461	2.5796	3.1548
H6	2.2942	2.3910	1.0930	2.2457	1.8461		3.1548	2.5372
H7	2.2254	2.9954	2.2586	1.0903	2.5796	3.1548		1.8461
H8	2.2942	2.3910	2.2457	1.0930	3.1548	2.5372	1.8461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	60.799	N1	C3	H5	113.419
N1	C3	H6	119.090	N1	C4	C3	60.799
N1	C4	H7	113.419	N1	C4	H8	119.090
H2	N1	C3	106.655	H2	N1	C4	106.655
C3	N1	C4	58.403	C3	C4	H7	119.169
C3	C4	H8	117.825	C4	C3	H5	119.169
C4	C3	H6	117.825	H5	C3	H6	115.459
H7	C4	H8	115.459

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: BLYP/3-21G*

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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Number	Element	Mulliken
1	N	-0.463
2	H	0.252
3	C	-0.279
4	C	-0.279
5	H	0.203
6	H	0.182
7	H	0.203
8	H	0.182

	x	y	z	Total
	1.419	-1.300	0.000	1.924
CHELPG
AIM
ESP

<r²>	41.518
(<r²>)^1/2	6.443

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: BLYP/3-21G*

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)