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	hartrees
Energy at 0K	-133.859660
Energy at 298.15K	-133.865732
Nuclear repulsion energy	75.255175

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3358	3332	3.86
2	A'	3123	3099	44.13
3	A'	3038	3014	18.60
4	A'	1498	1486	1.58
5	A'	1272	1262	6.36
6	A'	1199	1190	13.10
7	A'	1079	1070	6.59
8	A'	983	976	7.08
9	A'	835	828	31.16
10	A'	739	733	33.67
11	A"	3110	3086	0.69
12	A"	3034	3010	37.30
13	A"	1474	1463	0.32
14	A"	1241	1231	7.58
15	A"	1121	1112	2.48
16	A"	1065	1057	2.18
17	A"	885	878	10.82
18	A"	806	800	0.14

Atom	x (Å)	y (Å)	z (Å)
N1	-0.039	0.890	0.000
H2	0.919	1.269	0.000
C3	-0.039	-0.403	0.748
C4	-0.039	-0.403	-0.748
H5	-0.964	-0.612	1.293
H6	0.872	-0.722	1.266
H7	-0.964	-0.612	-1.293
H8	0.872	-0.722	-1.266

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0296	1.4934	1.4934	2.1876	2.2430	2.1876	2.2430
H2	1.0296		2.0662	2.0662	2.9589	2.3596	2.9589	2.3596
C3	1.4934	2.0662		1.4959	1.0943	1.0955	2.2510	2.2332
C4	1.4934	2.0662	1.4959		2.2510	2.2332	1.0943	1.0955
H5	2.1876	2.9589	1.0943	2.2510		1.8396	2.5869	3.1517
H6	2.2430	2.3596	1.0955	2.2332	1.8396		3.1517	2.5317
H7	2.1876	2.9589	2.2510	1.0943	2.5869	3.1517		1.8396
H8	2.2430	2.3596	2.2332	1.0955	3.1517	2.5317	1.8396

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.946	N1	C3	H5	114.545
N1	C3	H6	119.292	N1	C4	C3	59.946
N1	C4	H7	114.545	N1	C4	H8	119.292
H2	N1	C3	108.556	H2	N1	C4	108.556
C3	N1	C4	60.109	C3	C4	H7	119.902
C3	C4	H8	118.215	C4	C3	H5	119.902
C4	C3	H6	118.215	H5	C3	H6	114.296
H7	C4	H8	114.296

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: BLYP/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	-0.441
2	H	0.231
3	C	-0.093
4	C	-0.093
5	H	0.106
6	H	0.092
7	H	0.106
8	H	0.092

	x	y	z	Total
	1.316	-1.070	0.000	1.696
CHELPG
AIM
ESP

<r²>	40.273
(<r²>)^1/2	6.346

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: BLYP/6-31G**

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)