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	hartrees
Energy at 0K	-133.096365
Energy at 298.15K	-133.102469
Nuclear repulsion energy	74.960442

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3377	3224	2.85
2	A'	3268	3121	22.17
3	A'	3168	3025	8.20
4	A'	1550	1480	0.89
5	A'	1303	1244	12.82
6	A'	1182	1129	19.97
7	A'	1103	1053	16.31
8	A'	996	951	4.30
9	A'	851	813	5.58
10	A'	722	689	55.21
11	A"	3253	3106	0.59
12	A"	3160	3017	17.77
13	A"	1532	1463	0.67
14	A"	1281	1223	9.22
15	A"	1167	1115	6.31
16	A"	1116	1066	9.37
17	A"	902	861	13.67
18	A"	821	784	0.27

Atom	x (Å)	y (Å)	z (Å)
N1	-0.039	0.902	0.000
H2	0.913	1.298	0.000
C3	-0.039	-0.410	0.751
C4	-0.039	-0.410	-0.751
H5	-0.958	-0.615	1.281
H6	0.870	-0.732	1.248
H7	-0.958	-0.615	-1.281
H8	0.870	-0.732	-1.248

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0306	1.5118	1.5118	2.1884	2.2477	2.1884	2.2477
H2	1.0306		2.0943	2.0943	2.9667	2.3829	2.9667	2.3829
C3	1.5118	2.0943		1.5014	1.0813	1.0843	2.2399	2.2187
C4	1.5118	2.0943	1.5014		2.2399	2.2187	1.0813	1.0843
H5	2.1884	2.9667	1.0813	2.2399		1.8320	2.5628	3.1228
H6	2.2477	2.3829	1.0843	2.2187	1.8320		3.1228	2.4956
H7	2.1884	2.9667	2.2399	1.0813	2.5628	3.1228		1.8320
H8	2.2477	2.3829	2.2187	1.0843	3.1228	2.4956	1.8320

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	60.227	N1	C3	H5	114.083
N1	C3	H6	119.026	N1	C4	C3	60.227
N1	C4	H7	114.083	N1	C4	H8	119.026
H2	N1	C3	109.462	H2	N1	C4	109.462
C3	N1	C4	59.545	C3	C4	H7	119.392
C3	C4	H8	117.286	C4	C3	H5	119.392
C4	C3	H6	117.286	H5	C3	H6	115.549
H7	C4	H8	115.549

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: B1B95/3-21G*

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	-0.534
2	H	0.285
3	C	-0.329
4	C	-0.329
5	H	0.238
6	H	0.215
7	H	0.238
8	H	0.215

	x	y	z	Total
	1.551	-1.329	0.000	2.043
CHELPG
AIM
ESP

	x	y	z
x	3.487	0.243	0.000
y	0.243	3.281	0.000
z	0.000	0.000	4.160

<r²>	40.435
(<r²>)^1/2	6.359

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: B1B95/3-21G*

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)