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	hartrees
Energy at 0K	-133.641722
Energy at 298.15K	-133.647907
HF Energy	-133.089727
Nuclear repulsion energy	76.286741

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3547	3368	2.57
2	A'	3276	3111	18.71
3	A'	3176	3015	11.73
4	A'	1539	1461	0.69
5	A'	1312	1246	5.32
6	A'	1252	1189	15.67
7	A'	1120	1064	10.37
8	A'	1021	969	5.98
9	A'	891	846	49.74
10	A'	786	746	20.45
11	A"	3264	3099	0.33
12	A"	3169	3009	20.39
13	A"	1510	1433	0.08
14	A"	1267	1203	8.68
15	A"	1166	1107	2.39
16	A"	1115	1059	2.53
17	A"	920	874	12.83
18	A"	868	824	0.19

Atom	x (Å)	y (Å)	z (Å)
N1	-0.038	0.877	0.000
H2	0.904	1.250	0.000
C3	-0.038	-0.398	0.739
C4	-0.038	-0.398	-0.739
H5	-0.955	-0.604	1.270
H6	0.869	-0.702	1.242
H7	-0.955	-0.604	-1.270
H8	0.869	-0.702	-1.242

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0140	1.4736	1.4736	2.1555	2.2035	2.1555	2.2035
H2	1.0140		2.0376	2.0376	2.9170	2.3135	2.9170	2.3135
C3	1.4736	2.0376		1.4789	1.0791	1.0804	2.2186	2.1999
C4	1.4736	2.0376	1.4789		2.2186	2.1999	1.0791	1.0804
H5	2.1555	2.9170	1.0791	2.2186		1.8267	2.5408	3.1057
H6	2.2035	2.3135	1.0804	2.1999	1.8267		3.1057	2.4830
H7	2.1555	2.9170	2.2186	1.0791	2.5408	3.1057		1.8267
H8	2.2035	2.3135	2.1999	1.0804	3.1057	2.4830	1.8267

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.880	N1	C3	H5	114.329
N1	C3	H6	118.446	N1	C4	C3	59.880
N1	C4	H7	114.329	N1	C4	H8	118.446
H2	N1	C3	108.578	H2	N1	C4	108.578
C3	N1	C4	60.240	C3	C4	H7	119.471
C3	C4	H8	117.689	C4	C3	H5	119.471
C4	C3	H6	117.689	H5	C3	H6	115.530
H7	C4	H8	115.530

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: MP2/cc-pVTZ

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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All results from a given calculation for C2H5N (Aziridine)

using model chemistry: MP2/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)