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	hartrees
Energy at 0K	-133.867366
Energy at 298.15K	-133.873538
Nuclear repulsion energy	76.423167

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3559	3405	1.72
2	A'	3233	3093	31.34
3	A'	3141	3005	18.67
4	A'	1535	1468	2.02
5	A'	1303	1246	0.97
6	A'	1248	1194	18.31
7	A'	1119	1071	6.80
8	A'	996	953	4.42
9	A'	899	860	73.09
10	A'	772	739	27.00
11	A"	3221	3081	0.63
12	A"	3135	2999	30.58
13	A"	1496	1432	0.09
14	A"	1268	1213	12.14
15	A"	1148	1098	3.74
16	A"	1109	1061	2.62
17	A"	921	881	14.88
18	A"	912	873	0.20

Atom	x (Å)	y (Å)	z (Å)
N1	-0.038	0.866	0.000
H2	0.888	1.283	0.000
C3	-0.038	-0.394	0.740
C4	-0.038	-0.394	-0.740
H5	-0.954	-0.604	1.281
H6	0.871	-0.706	1.247
H7	-0.954	-0.604	-1.281
H8	0.871	-0.706	-1.247

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0151	1.4606	1.4606	2.1544	2.2028	2.1544	2.2028
H2	1.0151		2.0528	2.0528	2.9315	2.3476	2.9315	2.3476
C3	1.4606	2.0528		1.4795	1.0851	1.0867	2.2291	2.2069
C4	1.4606	2.0528	1.4795		2.2291	2.2069	1.0851	1.0867
H5	2.1544	2.9315	1.0851	2.2291		1.8286	2.5625	3.1199
H6	2.2028	2.3476	1.0867	2.2069	1.8286		3.1199	2.4937
H7	2.1544	2.9315	2.2291	1.0851	2.5625	3.1199		1.8286
H8	2.2028	2.3476	2.2069	1.0867	3.1199	2.4937	1.8286

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.571	N1	C3	H5	114.819
N1	C3	H6	118.980	N1	C4	C3	59.571
N1	C4	H7	114.819	N1	C4	H8	118.980
H2	N1	C3	110.736	H2	N1	C4	110.736
C3	N1	C4	60.858	C3	C4	H7	119.934
C3	C4	H8	117.816	C4	C3	H5	119.934
C4	C3	H6	117.816	H5	C3	H6	114.696
H7	C4	H8	114.696

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: B1B95/6-31+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	-0.394
2	H	0.297
3	C	-0.266
4	C	-0.266
5	H	0.163
6	H	0.151
7	H	0.163
8	H	0.151

	x	y	z	Total
	1.481	-1.190	0.000	1.900
CHELPG
AIM
ESP

	x	y	z
x	4.084	0.080	0.000
y	0.080	4.364	0.000
z	0.000	0.000	4.848

<r²>	39.629
(<r²>)^1/2	6.295

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: B1B95/6-31+G**

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)