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	hartrees
Energy at 0K	-132.278014
Energy at 298.15K	-132.284279
Nuclear repulsion energy	75.744185

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3671	3324	1.22
2	A'	3416	3094	28.28
3	A'	3319	3006	7.87
4	A'	1666	1509	1.15
5	A'	1377	1247	17.41
6	A'	1280	1159	16.33
7	A'	1198	1085	1.67
8	A'	1060	960	15.97
9	A'	912	825	8.59
10	A'	802	726	84.81
11	A"	3400	3079	0.85
12	A"	3308	2995	22.94
13	A"	1644	1489	0.11
14	A"	1387	1256	8.94
15	A"	1275	1155	7.64
16	A"	1257	1138	3.65
17	A"	992	898	13.53
18	A"	894	810	3.53

Atom	x (Å)	y (Å)	z (Å)
N1	-0.037	0.883	0.000
H2	0.861	1.339	0.000
C3	-0.037	-0.406	0.748
C4	-0.037	-0.406	-0.748
H5	-0.943	-0.613	1.278
H6	0.866	-0.710	1.242
H7	-0.943	-0.613	-1.278
H8	0.866	-0.710	-1.242

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0077	1.4905	1.4905	2.1662	2.2123	2.1662	2.2123
H2	1.0077		2.1007	2.1007	2.9497	2.3959	2.9497	2.3959
C3	1.4905	2.1007		1.4969	1.0697	1.0729	2.2296	2.2065
C4	1.4905	2.1007	1.4969		2.2296	2.2065	1.0697	1.0729
H5	2.1662	2.9497	1.0697	2.2296		1.8120	2.5566	3.1036
H6	2.2123	2.3959	1.0729	2.2065	1.8120		3.1036	2.4835
H7	2.1662	2.9497	2.2296	1.0697	2.5566	3.1036		1.8120
H8	2.2123	2.3959	2.2065	1.0729	3.1036	2.4835	1.8120

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.857	N1	C3	H5	114.589
N1	C3	H6	118.407	N1	C4	C3	59.857
N1	C4	H7	114.589	N1	C4	H8	118.407
H2	N1	C3	113.051	H2	N1	C4	113.051
C3	N1	C4	60.287	C3	C4	H7	119.690
C3	C4	H8	117.372	C4	C3	H5	119.690
C4	C3	H6	117.372	H5	C3	H6	115.486
H7	C4	H8	115.486

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: HF/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	CHELPG	ESP
1	N	-0.640	-0.627	-0.673
2	H	0.306	0.379	0.419
3	C	-0.293	-0.105	-0.216
4	C	-0.293	-0.105	-0.216
5	H	0.242	0.126	0.181
6	H	0.218	0.102	0.162
7	H	0.242	0.126	0.181
8	H	0.218	0.102	0.162

	x	y	z	Total
	1.646	-1.482	0.000	2.215
CHELPG	1.438	-1.257	0.000	1.910
AIM
ESP	1.634	-1.487	0.000	2.209

	x	y	z
x	3.300	0.254	0.000
y	0.254	3.158	0.000
z	0.000	0.000	4.122

<r²>	40.112
(<r²>)^1/2	6.333

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: HF/3-21G

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)