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	hartrees
Energy at 0K	-133.507286
Energy at 298.15K	-133.513468
HF Energy	-133.049331
Nuclear repulsion energy	75.783654

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3532	3357	0.44
2	A'	3285	3122	25.34
3	A'	3180	3022	10.06
4	A'	1535	1459	0.87
5	A'	1315	1250	3.65
6	A'	1261	1199	15.58
7	A'	1122	1067	8.03
8	A'	1017	967	7.11
9	A'	899	854	46.90
10	A'	780	742	18.65
11	A"	3272	3110	0.34
12	A"	3172	3014	21.10
13	A"	1495	1421	0.00
14	A"	1272	1209	8.11
15	A"	1158	1101	1.98
16	A"	1104	1049	2.01
17	A"	916	870	11.83
18	A"	884	840	0.16

Atom	x (Å)	y (Å)	z (Å)
N1	-0.039	0.880	0.000
H2	0.918	1.245	0.000
C3	-0.039	-0.397	0.745
C4	-0.039	-0.397	-0.745
H5	-0.966	-0.607	1.284
H6	0.877	-0.712	1.254
H7	-0.966	-0.607	-1.284
H8	0.877	-0.712	-1.254

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0242	1.4783	1.4783	2.1724	2.2240	2.1724	2.2240
H2	1.0242		2.0410	2.0410	2.9372	2.3245	2.9372	2.3245
C3	1.4783	2.0410		1.4890	1.0929	1.0943	2.2402	2.2206
C4	1.4783	2.0410	1.4890		2.2402	2.2206	1.0929	1.0943
H5	2.1724	2.9372	1.0929	2.2402		1.8461	2.5682	3.1381
H6	2.2240	2.3245	1.0943	2.2206	1.8461		3.1381	2.5074
H7	2.1724	2.9372	2.2402	1.0929	2.5682	3.1381		1.8461
H8	2.2240	2.3245	2.2206	1.0943	3.1381	2.5074	1.8461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.760	N1	C3	H5	114.491
N1	C3	H6	118.893	N1	C4	C3	59.760
N1	C4	H7	114.491	N1	C4	H8	118.893
H2	N1	C3	107.918	H2	N1	C4	107.918
C3	N1	C4	60.480	C3	C4	H7	119.587
C3	C4	H8	117.731	C4	C3	H5	119.587
C4	C3	H6	117.731	H5	C3	H6	115.139
H7	C4	H8	115.139

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: MP2=FULL/cc-pVDZ

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=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)