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	hartrees
Energy at 0K	-133.784690
Energy at 298.15K	-133.790871
HF Energy	-133.784690
Nuclear repulsion energy	76.369908

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3567	3405	1.90
2	A'	3237	3090	29.80
3	A'	3144	3002	18.29
4	A'	1539	1470	1.89
5	A'	1307	1248	0.89
6	A'	1254	1198	19.37
7	A'	1123	1073	7.38
8	A'	1002	957	4.96
9	A'	901	861	74.12
10	A'	776	741	27.20
11	A"	3224	3079	0.61
12	A"	3138	2996	29.65
13	A"	1501	1433	0.16
14	A"	1274	1217	12.32
15	A"	1152	1100	4.12
16	A"	1115	1065	2.89
17	A"	926	884	15.07
18	A"	914	873	0.28

Atom	x (Å)	y (Å)	z (Å)
N1	-0.038	0.866	0.000
H2	0.888	1.284	0.000
C3	-0.038	-0.394	0.740
C4	-0.038	-0.394	-0.740
H5	-0.955	-0.604	1.283
H6	0.873	-0.707	1.248
H7	-0.955	-0.604	-1.283
H8	0.873	-0.707	-1.248

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0157	1.4612	1.4612	2.1564	2.2043	2.1564	2.2043
H2	1.0157		2.0543	2.0543	2.9342	2.3494	2.9342	2.3494
C3	1.4612	2.0543		1.4805	1.0866	1.0883	2.2316	2.2087
C4	1.4612	2.0543	1.4805		2.2316	2.2087	1.0866	1.0883
H5	2.1564	2.9342	1.0866	2.2316		1.8312	2.5663	3.1235
H6	2.2043	2.3494	1.0883	2.2087	1.8312		3.1235	2.4951
H7	2.1564	2.9342	2.2316	1.0866	2.5663	3.1235		1.8312
H8	2.2043	2.3494	2.2087	1.0883	3.1235	2.4951	1.8312

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.562	N1	C3	H5	114.850
N1	C3	H6	118.950	N1	C4	C3	59.562
N1	C4	H7	114.850	N1	C4	H8	118.950
H2	N1	C3	110.786	H2	N1	C4	110.786
C3	N1	C4	60.877	C3	C4	H7	119.976
C3	C4	H8	117.783	C4	C3	H5	119.976
C4	C3	H6	117.783	H5	C3	H6	114.694
H7	C4	H8	114.694

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: HSEh1PBE/6-31+G**

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	-0.391
2	H	0.302
3	C	-0.284
4	C	-0.284
5	H	0.171
6	H	0.158
7	H	0.171
8	H	0.158

	x	y	z	Total
	1.493	-1.199	0.000	1.915
CHELPG
AIM
ESP

	x	y	z
x	4.082	0.076	0.000
y	0.076	4.363	0.000
z	0.000	0.000	4.841

<r²>	39.689
(<r²>)^1/2	6.300

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)