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	hartrees
Energy at 0K	-133.574914
Energy at 298.15K	-133.581107
HF Energy	-133.056641
Nuclear repulsion energy	76.200708

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3576	3378	2.30
2	A'	3300	3117	15.69
3	A'	3197	3020	9.71
4	A'	1544	1458	0.83
5	A'	1322	1249	5.36
6	A'	1264	1194	17.82
7	A'	1132	1069	9.01
8	A'	1027	970	6.50
9	A'	904	853	48.40
10	A'	786	743	18.88
11	A"	3287	3105	0.25
12	A"	3191	3014	16.23
13	A"	1514	1430	0.01
14	A"	1279	1208	8.91
15	A"	1174	1108	1.99
16	A"	1124	1061	1.53
17	A"	927	876	12.21
18	A"	886	837	0.62

Atom	x (Å)	y (Å)	z (Å)
N1	-0.039	0.877	0.000
H2	0.906	1.251	0.000
C3	-0.039	-0.398	0.740
C4	-0.039	-0.398	-0.740
H5	-0.956	-0.603	1.276
H6	0.870	-0.703	1.245
H7	-0.956	-0.603	-1.276
H8	0.870	-0.703	-1.245

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0154	1.4741	1.4741	2.1585	2.2072	2.1585	2.2072
H2	1.0154		2.0388	2.0388	2.9204	2.3169	2.9204	2.3169
C3	1.4741	2.0388		1.4801	1.0821	1.0832	2.2245	2.2044
C4	1.4741	2.0388	1.4801		2.2245	2.2044	1.0821	1.0832
H5	2.1585	2.9204	1.0821	2.2245		1.8289	2.5520	3.1145
H6	2.2072	2.3169	1.0832	2.2044	1.8289		3.1145	2.4903
H7	2.1585	2.9204	2.2245	1.0821	2.5520	3.1145		1.8289
H8	2.2072	2.3169	2.2044	1.0832	3.1145	2.4903	1.8289

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.865	N1	C3	H5	114.346
N1	C3	H6	118.532	N1	C4	C3	59.865
N1	C4	H7	114.346	N1	C4	H8	118.532
H2	N1	C3	108.559	H2	N1	C4	108.559
C3	N1	C4	60.269	C3	C4	H7	119.690
C3	C4	H8	117.796	C4	C3	H5	119.690
C4	C3	H6	117.796	H5	C3	H6	115.264
H7	C4	H8	115.264

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)