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	hartrees
Energy at 0K	-133.166819
Energy at 298.15K	-133.172905
Nuclear repulsion energy	74.581130

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3324	3207	7.60
2	A'	3242	3128	23.60
3	A'	3146	3036	8.90
4	A'	1553	1499	0.78
5	A'	1308	1262	14.28
6	A'	1171	1130	17.38
7	A'	1094	1056	12.47
8	A'	997	962	5.46
9	A'	842	813	2.29
10	A'	707	682	52.07
11	A"	3228	3114	0.69
12	A"	3139	3029	20.00
13	A"	1539	1485	0.30
14	A"	1281	1236	7.85
15	A"	1170	1129	5.67
16	A"	1112	1073	8.18
17	A"	897	866	13.03
18	A"	784	756	0.46

Atom	x (Å)	y (Å)	z (Å)
N1	-0.039	0.911	0.000
H2	0.921	1.297	0.000
C3	-0.039	-0.414	0.753
C4	-0.039	-0.414	-0.753
H5	-0.960	-0.618	1.285
H6	0.869	-0.735	1.255
H7	-0.960	-0.618	-1.285
H8	0.869	-0.735	-1.255

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0342	1.5241	1.5241	2.1994	2.2598	2.1994	2.2598
H2	1.0342		2.1013	2.1013	2.9758	2.3884	2.9758	2.3884
C3	1.5241	2.1013		1.5069	1.0828	1.0857	2.2458	2.2272
C4	1.5241	2.1013	1.5069		2.2458	2.2272	1.0828	1.0857
H5	2.1994	2.9758	1.0828	2.2458		1.8331	2.5691	3.1317
H6	2.2598	2.3884	1.0857	2.2272	1.8331		3.1317	2.5096
H7	2.1994	2.9758	2.2458	1.0828	2.5691	3.1317		1.8331
H8	2.2598	2.3884	2.2272	1.0857	3.1317	2.5096	1.8331

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	60.374	N1	C3	H5	113.990
N1	C3	H6	119.018	N1	C4	C3	60.374
N1	C4	H7	113.990	N1	C4	H8	119.018
H2	N1	C3	108.934	H2	N1	C4	108.934
C3	N1	C4	59.253	C3	C4	H7	119.373
C3	C4	H8	117.503	C4	C3	H5	119.373
C4	C3	H6	117.503	H5	C3	H6	115.420
H7	C4	H8	115.420

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: B3LYP/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	ESP
1	N	-0.513	-0.566
2	H	0.270	0.372
3	C	-0.292	-0.222
4	C	-0.292	-0.222
5	H	0.218	0.170
6	H	0.196	0.148
7	H	0.218	0.170
8	H	0.196	0.148

	x	y	z	Total
	1.510	-1.329	0.000	2.012
CHELPG
AIM
ESP	1.503	-1.334	0.000	2.010

	x	y	z
x	3.513	0.257	0.000
y	0.257	3.313	0.000
z	0.000	0.000	4.167

<r²>	40.786
(<r²>)^1/2	6.386

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)