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	hartrees
Energy at 0K	-133.913142
Energy at 298.15K	-133.919341
HF Energy	-133.913142
Nuclear repulsion energy	76.346198

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3555	3400	0.38
2	A'	3219	3079	38.53
3	A'	3128	2992	16.22
4	A'	1541	1474	0.98
5	A'	1309	1252	2.32
6	A'	1260	1205	23.61
7	A'	1132	1083	7.47
8	A'	1018	974	8.67
9	A'	897	858	59.30
10	A'	792	758	25.14
11	A"	3205	3066	0.59
12	A"	3121	2985	34.56
13	A"	1503	1438	0.38
14	A"	1280	1224	10.65
15	A"	1161	1110	3.85
16	A"	1117	1069	2.74
17	A"	932	891	13.21
18	A"	904	865	0.40

Atom	x (Å)	y (Å)	z (Å)
N1	-0.038	0.865	0.000
H2	0.883	1.286	0.000
C3	-0.038	-0.392	0.740
C4	-0.038	-0.392	-0.740
H5	-0.952	-0.609	1.282
H6	0.872	-0.710	1.243
H7	-0.952	-0.609	-1.282
H8	0.872	-0.710	-1.243

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0127	1.4584	1.4584	2.1569	2.2023	2.1569	2.2023
H2	1.0127		2.0523	2.0523	2.9333	2.3511	2.9333	2.3511
C3	1.4584	2.0523		1.4805	1.0849	1.0867	2.2303	2.2046
C4	1.4584	2.0523	1.4805		2.2303	2.2046	1.0849	1.0867
H5	2.1569	2.9333	1.0849	2.2303		1.8273	2.5647	3.1165
H6	2.2023	2.3511	1.0867	2.2046	1.8273		3.1165	2.4852
H7	2.1569	2.9333	2.2303	1.0849	2.5647	3.1165		1.8273
H8	2.2023	2.3511	2.2046	1.0867	3.1165	2.4852	1.8273

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.499	N1	C3	H5	115.215
N1	C3	H6	119.117	N1	C4	C3	59.499
N1	C4	H7	115.215	N1	C4	H8	119.117
H2	N1	C3	111.012	H2	N1	C4	111.012
C3	N1	C4	61.003	C3	C4	H7	119.979
C3	C4	H8	117.534	C4	C3	H5	119.979
C4	C3	H6	117.534	H5	C3	H6	114.582
H7	C4	H8	114.582

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: wB97X-D/6-311G**

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	-0.352
2	H	0.206
3	C	-0.190
4	C	-0.190
5	H	0.137
6	H	0.126
7	H	0.137
8	H	0.126

	x	y	z	Total
	1.367	-1.121	0.000	1.767
CHELPG
AIM
ESP

	x	y	z
x	3.943	0.186	0.000
y	0.186	3.845	0.000
z	0.000	0.000	4.681

<r²>	39.477
(<r²>)^1/2	6.283

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)