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	hartrees
Energy at 0K	-132.193588
Energy at 298.15K	-132.199698
Nuclear repulsion energy	74.410471

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3555	3139	0.46
2	A'	3509	3098	12.86
3	A'	3400	3002	0.34
4	A'	1642	1450	1.33
5	A'	1423	1256	10.74
6	A'	1342	1185	3.36
7	A'	1215	1073	4.27
8	A'	1057	933	9.94
9	A'	967	854	18.04
10	A'	839	741	5.66
11	A"	3545	3130	0.01
12	A"	3390	2993	4.95
13	A"	1607	1419	0.24
14	A"	1374	1213	4.41
15	A"	1240	1095	0.71
16	A"	1192	1052	0.41
17	A"	1006	888	3.06
18	A"	933	824	6.20

Atom	x (Å)	y (Å)	z (Å)
N1	-0.041	0.916	0.000
H2	0.991	1.200	0.000
C3	-0.041	-0.408	0.751
C4	-0.041	-0.408	-0.751
H5	-0.975	-0.632	1.279
H6	0.865	-0.723	1.283
H7	-0.975	-0.632	-1.279
H8	0.865	-0.723	-1.283

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0704	1.5222	1.5222	2.2148	2.2696	2.2148	2.2696
H2	1.0704		2.0532	2.0532	2.9766	2.3148	2.9766	2.3148
C3	1.5222	2.0532		1.5027	1.0963	1.0967	2.2464	2.2493
C4	1.5222	2.0532	1.5027		2.2464	2.2493	1.0963	1.0967
H5	2.2148	2.9766	1.0963	2.2464		1.8427	2.5583	3.1561
H6	2.2696	2.3148	1.0967	2.2493	1.8427		3.1561	2.5664
H7	2.2148	2.9766	2.2464	1.0963	2.5583	3.1561		1.8427
H8	2.2696	2.3148	2.2493	1.0967	3.1561	2.5664	1.8427

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	60.422	N1	C3	H5	114.549
N1	C3	H6	119.253	N1	C4	C3	60.422
N1	C4	H7	114.549	N1	C4	H8	119.253
H2	N1	C3	103.357	H2	N1	C4	103.357
C3	N1	C4	59.156	C3	C4	H7	118.778
C3	C4	H8	119.010	C4	C3	H5	118.778
C4	C3	H6	119.010	H5	C3	H6	114.337
H7	C4	H8	114.337

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: B1B95/STO-3G

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	-0.279
2	H	0.160
3	C	-0.120
4	C	-0.120
5	H	0.094
6	H	0.085
7	H	0.094
8	H	0.085

	x	y	z	Total
	1.353	-1.158	0.000	1.781
CHELPG
AIM
ESP

	x	y	z
x	2.106	0.314	0.000
y	0.314	1.861	0.000
z	0.000	0.000	2.416

<r²>	40.129
(<r²>)^1/2	6.335

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: B1B95/STO-3G

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)