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	hartrees
Energy at 0K	-133.800756
Energy at 298.15K	-133.806919
Nuclear repulsion energy	75.654239

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3500	3338	0.99
2	A'	3267	3116	36.86
3	A'	3166	3020	14.86
4	A'	1559	1487	0.69
5	A'	1304	1244	1.16
6	A'	1235	1178	21.50
7	A'	1137	1084	9.87
8	A'	1001	954	4.36
9	A'	868	827	24.54
10	A'	755	720	74.36
11	A"	3253	3102	1.28
12	A"	3157	3011	23.65
13	A"	1538	1466	0.59
14	A"	1293	1233	9.93
15	A"	1175	1121	10.50
16	A"	1149	1096	2.38
17	A"	936	893	16.48
18	A"	877	836	0.71

Atom	x (Å)	y (Å)	z (Å)
N1	-0.037	0.879	0.000
H2	0.869	1.348	0.000
C3	-0.037	-0.402	0.747
C4	-0.037	-0.402	-0.747
H5	-0.949	-0.612	1.292
H6	0.869	-0.725	1.250
H7	-0.949	-0.612	-1.292
H8	0.869	-0.725	-1.250

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0203	1.4826	1.4826	2.1729	2.2260	2.1729	2.2260
H2	1.0203		2.1072	2.1072	2.9686	2.4202	2.9686	2.4202
C3	1.4826	2.1072		1.4942	1.0822	1.0856	2.2431	2.2166
C4	1.4826	2.1072	1.4942		2.2431	2.2166	1.0822	1.0856
H5	2.1729	2.9686	1.0822	2.2431		1.8217	2.5834	3.1267
H6	2.2260	2.4202	1.0856	2.2166	1.8217		3.1267	2.4996
H7	2.1729	2.9686	2.2431	1.0822	2.5834	3.1267		1.8217
H8	2.2260	2.4202	2.2166	1.0856	3.1267	2.4996	1.8217

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.742	N1	C3	H5	114.914
N1	C3	H6	119.358	N1	C4	C3	59.742
N1	C4	H7	114.914	N1	C4	H8	119.358
H2	N1	C3	113.391	H2	N1	C4	113.391
C3	N1	C4	60.516	C3	C4	H7	120.212
C3	C4	H8	117.584	C4	C3	H5	120.212
C4	C3	H6	117.584	H5	C3	H6	114.350
H7	C4	H8	114.350

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: B1B95/6-31G

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
1	N	-0.538
2	H	0.294
3	C	-0.223
4	C	-0.223
5	H	0.183
6	H	0.162
7	H	0.183
8	H	0.162

	x	y	z	Total
	1.646	-1.272	0.000	2.080
CHELPG
AIM
ESP

	x	y	z
x	3.637	0.219	0.000
y	0.219	3.554	0.000
z	0.000	0.000	4.341

<r²>	40.052
(<r²>)^1/2	6.329

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: B1B95/6-31G

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)