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	hartrees
Energy at 0K	-133.867732
Energy at 298.15K	-133.873867
Nuclear repulsion energy	75.234254

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3448	3317	2.94
2	A'	3241	3118	40.21
3	A'	3144	3025	15.34
4	A'	1558	1498	0.73
5	A'	1296	1246	3.46
6	A'	1223	1177	18.71
7	A'	1127	1085	8.02
8	A'	1000	962	6.93
9	A'	854	821	13.37
10	A'	740	712	75.42
11	A"	3226	3104	1.38
12	A"	3136	3017	25.99
13	A"	1541	1482	0.26
14	A"	1291	1242	8.73
15	A"	1173	1129	8.67
16	A"	1145	1101	2.70
17	A"	929	894	15.87
18	A"	833	801	0.55

Atom	x (Å)	y (Å)	z (Å)
N1	-0.038	0.887	0.000
H2	0.879	1.345	0.000
C3	-0.038	-0.406	0.750
C4	-0.038	-0.406	-0.750
H5	-0.951	-0.615	1.296
H6	0.869	-0.727	1.257
H7	-0.951	-0.615	-1.296
H8	0.869	-0.727	-1.257

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0241	1.4954	1.4954	2.1845	2.2385	2.1845	2.2385
H2	1.0241		2.1140	2.1140	2.9783	2.4240	2.9783	2.4240
C3	1.4954	2.1140		1.5009	1.0842	1.0875	2.2504	2.2263
C4	1.4954	2.1140	1.5009		2.2504	2.2263	1.0842	1.0875
H5	2.1845	2.9783	1.0842	2.2504		1.8243	2.5911	3.1374
H6	2.2385	2.4240	1.0875	2.2263	1.8243		3.1374	2.5146
H7	2.1845	2.9783	2.2504	1.0842	2.5911	3.1374		1.8243
H8	2.2385	2.4240	2.2263	1.0875	3.1374	2.5146	1.8243

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.879	N1	C3	H5	114.799
N1	C3	H6	119.306	N1	C4	C3	59.879
N1	C4	H7	114.799	N1	C4	H8	119.306
H2	N1	C3	112.739	H2	N1	C4	112.739
C3	N1	C4	60.241	C3	C4	H7	120.183
C3	C4	H8	117.780	C4	C3	H5	120.183
C4	C3	H6	117.780	H5	C3	H6	114.281
H7	C4	H8	114.281

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: B3LYP/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	-0.518
2	H	0.278
3	C	-0.183
4	C	-0.183
5	H	0.161
6	H	0.142
7	H	0.161
8	H	0.142

	x	y	z	Total
	1.613	-1.294	0.000	2.068
CHELPG
AIM
ESP

	x	y	z
x	3.675	0.235	0.000
y	0.235	3.592	0.000
z	0.000	0.000	4.365

<r²>	40.433
(<r²>)^1/2	6.359

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: B3LYP/6-31G

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)