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	hartrees
Energy at 0K	-133.645298
Energy at 298.15K	-133.651477
HF Energy	-133.094330
Nuclear repulsion energy	76.292646

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3553	3380	3.41
2	A'	3284	3124	16.94
3	A'	3181	3027	11.11
4	A'	1541	1466	0.78
5	A'	1311	1247	4.80
6	A'	1251	1190	14.79
7	A'	1123	1068	9.70
8	A'	1022	973	5.65
9	A'	889	846	50.26
10	A'	789	751	21.01
11	A"	3270	3111	0.29
12	A"	3173	3019	18.96
13	A"	1512	1439	0.13
14	A"	1269	1207	8.79
15	A"	1167	1110	2.61
16	A"	1122	1067	2.42
17	A"	924	879	12.92
18	A"	866	824	0.19

Atom	x (Å)	y (Å)	z (Å)
N1	-0.038	0.868	0.000
H2	0.885	1.281	0.000
C3	-0.038	-0.394	0.739
C4	-0.038	-0.394	-0.739
H5	-0.949	-0.607	1.277
H6	0.869	-0.709	1.235
H7	-0.949	-0.607	-1.277
H8	0.869	-0.709	-1.235

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0114	1.4625	1.4625	2.1534	2.1991	2.1534	2.1991
H2	1.0114		2.0502	2.0502	2.9257	2.3419	2.9257	2.3419
C3	1.4625	2.0502		1.4776	1.0796	1.0811	2.2225	2.1951
C4	1.4625	2.0502	1.4776		2.2225	2.1951	1.0796	1.0811
H5	2.1534	2.9257	1.0796	2.2225		1.8220	2.5541	3.1030
H6	2.1991	2.3419	1.0811	2.1951	1.8220		3.1030	2.4702
H7	2.1534	2.9257	2.2225	1.0796	2.5541	3.1030		1.8220
H8	2.1991	2.3419	2.1951	1.0811	3.1030	2.4702	1.8220

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.659	N1	C3	H5	114.958
N1	C3	H6	118.905	N1	C4	C3	59.659
N1	C4	H7	114.958	N1	C4	H8	118.905
H2	N1	C3	110.606	H2	N1	C4	110.606
C3	N1	C4	60.683	C3	C4	H7	119.904
C3	C4	H8	117.327	C4	C3	H5	119.904
C4	C3	H6	117.327	H5	C3	H6	114.972
H7	C4	H8	114.972

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)