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	hartrees
Energy at 0K	-132.965049
Energy at 298.15K	-132.971358
Nuclear repulsion energy	76.384336

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3781	3414	3.06
2	A'	3416	3084	41.50
3	A'	3317	2995	12.87
4	A'	1680	1517	0.97
5	A'	1380	1246	7.90
6	A'	1340	1210	19.68
7	A'	1246	1125	1.61
8	A'	1066	963	13.08
9	A'	930	840	38.69
10	A'	846	764	94.65
11	A"	3401	3070	1.51
12	A"	3304	2983	26.81
13	A"	1654	1493	0.28
14	A"	1404	1268	9.74
15	A"	1297	1171	8.69
16	A"	1277	1153	0.66
17	A"	1027	927	15.09
18	A"	939	848	4.96

Atom	x (Å)	y (Å)	z (Å)
N1	-0.036	0.864	0.000
H2	0.825	1.373	0.000
C3	-0.036	-0.399	0.744
C4	-0.036	-0.399	-0.744
H5	-0.935	-0.611	1.285
H6	0.865	-0.704	1.243
H7	-0.935	-0.611	-1.285
H8	0.865	-0.704	-1.243

	N1	H2	C3	C4	H5	H6	H7	H8
N1		0.9999	1.4660	1.4660	2.1525	2.1944	2.1525	2.1944
H2	0.9999		2.1060	2.1060	2.9466	2.4211	2.9466	2.4211
C3	1.4660	2.1060		1.4877	1.0704	1.0739	2.2289	2.2030
C4	1.4660	2.1060	1.4877		2.2289	2.2030	1.0704	1.0739
H5	2.1525	2.9466	1.0704	2.2289		1.8026	2.5692	3.1046
H6	2.1944	2.4211	1.0739	2.2030	1.8026		3.1046	2.4868
H7	2.1525	2.9466	2.2289	1.0704	2.5692	3.1046		1.8026
H8	2.1944	2.4211	2.2030	1.0739	3.1046	2.4868	1.8026

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.508	N1	C3	H5	115.247
N1	C3	H6	118.720	N1	C4	C3	59.508
N1	C4	H7	115.247	N1	C4	H8	118.720
H2	N1	C3	116.022	H2	N1	C4	116.022
C3	N1	C4	60.983	C3	C4	H7	120.344
C3	C4	H8	117.722	C4	C3	H5	120.344
C4	C3	H6	117.722	H5	C3	H6	114.419
H7	C4	H8	114.419

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: HF/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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Number	Element	Mulliken	CHELPG
1	N	-0.648	-0.751
2	H	0.319	0.432
3	C	-0.196	-0.070
4	C	-0.196	-0.070
5	H	0.191	0.121
6	H	0.169	0.108
7	H	0.191	0.121
8	H	0.169	0.108

	x	y	z	Total
	1.720	-1.444	0.000	2.246
CHELPG	1.676	-1.435	0.000	2.206
AIM
ESP

	x	y	z
x	3.445	0.222	0.000
y	0.222	3.419	0.000
z	0.000	0.000	4.277

<r²>	39.759
(<r²>)^1/2	6.305

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: HF/6-31G

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)