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	hartrees
Energy at 0K	-133.850760
Energy at 298.15K	-133.856833
HF Energy	-133.850760
Nuclear repulsion energy	75.230143

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3331	3304	5.41
2	A'	3124	3099	46.58
3	A'	3042	3018	19.71
4	A'	1509	1497	1.56
5	A'	1283	1273	7.46
6	A'	1204	1194	12.96
7	A'	1083	1074	6.84
8	A'	989	981	6.82
9	A'	838	831	31.51
10	A'	742	736	33.99
11	A"	3111	3086	1.07
12	A"	3038	3014	38.51
13	A"	1485	1473	0.33
14	A"	1252	1242	7.54
15	A"	1127	1117	2.45
16	A"	1067	1058	2.39
17	A"	890	883	11.04
18	A"	809	802	0.09

Atom	x (Å)	y (Å)	z (Å)
N1	-0.038	0.876	0.000
H2	0.893	1.307	0.000
C3	-0.038	-0.397	0.748
C4	-0.038	-0.397	-0.748
H5	-0.959	-0.612	1.301
H6	0.876	-0.727	1.256
H7	-0.959	-0.612	-1.301
H8	0.876	-0.727	-1.256

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0257	1.4760	1.4760	2.1802	2.2325	2.1802	2.2325
H2	1.0257		2.0802	2.0802	2.9668	2.3908	2.9668	2.3908
C3	1.4760	2.0802		1.4953	1.0958	1.0971	2.2562	2.2272
C4	1.4760	2.0802	1.4953		2.2562	2.2272	1.0958	1.0971
H5	2.1802	2.9668	1.0958	2.2562		1.8396	2.6014	3.1496
H6	2.2325	2.3908	1.0971	2.2272	1.8396		3.1496	2.5125
H7	2.1802	2.9668	2.2562	1.0958	2.6014	3.1496		1.8396
H8	2.2325	2.3908	2.2272	1.0971	3.1496	2.5125	1.8396

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.567	N1	C3	H5	115.133
N1	C3	H6	119.644	N1	C4	C3	59.567
N1	C4	H7	115.133	N1	C4	H8	119.644
H2	N1	C3	111.232	H2	N1	C4	111.232
C3	N1	C4	60.866	C3	C4	H7	120.312
C3	C4	H8	117.618	C4	C3	H5	120.312
C4	C3	H6	117.618	H5	C3	H6	114.047
H7	C4	H8	114.047

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	-0.482
2	H	0.286
3	C	-0.177
4	C	-0.177
5	H	0.144
6	H	0.131
7	H	0.144
8	H	0.131

	x	y	z	Total
	1.339	-1.074	0.000	1.717
CHELPG
AIM
ESP

	x	y	z
x	3.896	0.227	0.000
y	0.227	3.649	0.000
z	0.000	0.000	4.477

<r²>	40.304
(<r²>)^1/2	6.349

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)