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	hartrees
Energy at 0K	-133.084900
Energy at 298.15K	-133.091218
HF Energy	-133.084900
Nuclear repulsion energy	77.064733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3766	3422	3.46
2	A'	3352	3045	45.55
3	A'	3265	2966	17.21
4	A'	1660	1508	1.97
5	A'	1388	1261	9.77
6	A'	1346	1223	19.03
7	A'	1238	1125	0.62
8	A'	1079	981	17.91
9	A'	948	861	81.76
10	A'	844	767	27.47
11	A"	3337	3032	1.07
12	A"	3255	2957	40.03
13	A"	1621	1472	0.02
14	A"	1386	1260	11.54
15	A"	1258	1143	3.50
16	A"	1244	1131	1.01
17	A"	1007	915	12.85
18	A"	961	873	2.52

Atom	x (Å)	y (Å)	z (Å)
N1	-0.037	0.856	0.000
H2	0.864	1.285	0.000
C3	-0.037	-0.391	0.736
C4	-0.037	-0.391	-0.736
H5	-0.943	-0.605	1.274
H6	0.866	-0.687	1.240
H7	-0.943	-0.605	-1.274
H8	0.866	-0.687	-1.240

	N1	H2	C3	C4	H5	H6	H7	H8
N1		0.9984	1.4483	1.4483	2.1394	2.1764	2.1394	2.1764
H2	0.9984		2.0405	2.0405	2.9083	2.3297	2.9083	2.3297
C3	1.4483	2.0405		1.4717	1.0745	1.0762	2.2146	2.1929
C4	1.4483	2.0405	1.4717		2.2146	2.1929	1.0745	1.0762
H5	2.1394	2.9083	1.0745	2.2146		1.8107	2.5481	3.0983
H6	2.1764	2.3297	1.0762	2.1929	1.8107		3.0983	2.4806
H7	2.1394	2.9083	2.2146	1.0745	2.5481	3.0983		1.8107
H8	2.1764	2.3297	2.1929	1.0762	3.0983	2.4806	1.8107

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.464	N1	C3	H5	115.193
N1	C3	H6	118.362	N1	C4	C3	59.464
N1	C4	H7	115.193	N1	C4	H8	118.362
H2	N1	C3	111.704	H2	N1	C4	111.704
C3	N1	C4	61.071	C3	C4	H7	120.060
C3	C4	H8	117.951	C4	C3	H5	120.060
C4	C3	H6	117.951	H5	C3	H6	114.689
H7	C4	H8	114.689

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: HF/TZVP

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	-0.307
2	H	0.201
3	C	-0.141
4	C	-0.141
5	H	0.101
6	H	0.093
7	H	0.101
8	H	0.093

	x	y	z	Total
	1.462	-1.247	0.000	1.921
CHELPG
AIM
ESP

	x	y	z
x	3.879	0.184	0.000
y	0.184	3.945	0.000
z	0.000	0.000	4.694

<r²>	39.139
(<r²>)^1/2	6.256

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: HF/TZVP

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)