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	hartrees
Energy at 0K	-24.108395
Energy at 298.15K	-24.114476
Nuclear repulsion energy	42.282888

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3439	3331	10.17
2	A'	3245	3142	63.09
3	A'	3136	3037	27.02
4	A'	1517	1469	0.67
5	A'	1260	1220	3.28
6	A'	1206	1168	15.21
7	A'	1102	1067	15.73
8	A'	981	950	4.91
9	A'	828	802	18.67
10	A'	733	710	74.36
11	A"	3226	3125	2.08
12	A"	3126	3027	45.38
13	A"	1493	1445	0.85
14	A"	1259	1219	10.05
15	A"	1143	1107	11.60
16	A"	1112	1077	8.26
17	A"	899	871	14.72
18	A"	802	776	0.67

Atom	x (Å)	y (Å)	z (Å)
N1	-0.051	0.914	0.000
H2	0.889	1.345	0.000
C3	-0.051	-0.406	0.763
C4	-0.051	-0.406	-0.763
H5	-0.978	-0.614	1.301
H6	0.863	-0.718	1.281
H7	-0.978	-0.614	-1.301
H8	0.863	-0.718	-1.281

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0336	1.5251	1.5251	2.2110	2.2674	2.2110	2.2674
H2	1.0336		2.1287	2.1287	3.0026	2.4284	3.0026	2.4284
C3	1.5251	2.1287		1.5260	1.0923	1.0959	2.2726	2.2605
C4	1.5251	2.1287	1.5260		2.2726	2.2605	1.0923	1.0959
H5	2.2110	3.0026	1.0923	2.2726		1.8446	2.6027	3.1732
H6	2.2674	2.4284	1.0959	2.2605	1.8446		3.1732	2.5616
H7	2.2110	3.0026	2.2726	1.0923	2.6027	3.1732		1.8446
H8	2.2674	2.4284	2.2605	1.0959	3.1732	2.5616	1.8446

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.982	N1	C3	H5	114.270
N1	C3	H6	118.875	N1	C4	C3	59.982
N1	C4	H7	114.270	N1	C4	H8	118.875
H2	N1	C3	111.136	H2	N1	C4	111.136
C3	N1	C4	60.036	C3	C4	H7	119.529
C3	C4	H8	118.197	C4	C3	H5	119.529
C4	C3	H6	118.197	H5	C3	H6	114.915
H7	C4	H8	114.915

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: B3LYP/CEP-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	-0.269
2	H	0.210
3	C	-0.344
4	C	-0.344
5	H	0.195
6	H	0.178
7	H	0.195
8	H	0.178

	x	y	z	Total
	1.702	-1.517	0.000	2.280
CHELPG
AIM
ESP

	x	y	z
x	3.465	0.246	0.000
y	0.246	3.890	0.000
z	0.000	0.000	4.688

<r²>	36.603
(<r²>)^1/2	6.050

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: B3LYP/CEP-31G

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)