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	hartrees
Energy at 0K	-133.558731
Energy at 298.15K	-133.564930
HF Energy	-133.083791
Nuclear repulsion energy	76.247591

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3549	3364	1.51
2	A'	3288	3117	22.91
3	A'	3185	3019	11.90
4	A'	1556	1475	1.28
5	A'	1305	1237	2.28
6	A'	1255	1190	13.82
7	A'	1155	1095	6.68
8	A'	1028	975	7.01
9	A'	884	838	45.53
10	A'	790	748	36.65
11	A"	3276	3105	0.47
12	A"	3179	3014	20.94
13	A"	1528	1449	0.01
14	A"	1294	1227	11.91
15	A"	1186	1124	4.08
16	A"	1139	1080	3.48
17	A"	942	893	13.42
18	A"	866	821	0.02

Atom	x (Å)	y (Å)	z (Å)
N1	-0.039	0.876	0.000
H2	0.901	1.263	0.000
C3	-0.039	-0.399	0.739
C4	-0.039	-0.399	-0.739
H5	-0.955	-0.608	1.272
H6	0.871	-0.698	1.242
H7	-0.955	-0.608	-1.272
H8	0.871	-0.698	-1.242

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0157	1.4734	1.4734	2.1584	2.2021	2.1584	2.2021
H2	1.0157		2.0466	2.0466	2.9256	2.3216	2.9256	2.3216
C3	1.4734	2.0466		1.4788	1.0803	1.0821	2.2204	2.2011
C4	1.4734	2.0466	1.4788		2.2204	2.2011	1.0803	1.0821
H5	2.1584	2.9256	1.0803	2.2204		1.8287	2.5447	3.1091
H6	2.2021	2.3216	1.0821	2.2011	1.8287		3.1091	2.4845
H7	2.1584	2.9256	2.2204	1.0803	2.5447	3.1091		1.8287
H8	2.2021	2.3216	2.2011	1.0821	3.1091	2.4845	1.8287

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.879	N1	C3	H5	114.519
N1	C3	H6	118.217	N1	C4	C3	59.879
N1	C4	H7	114.519	N1	C4	H8	118.217
H2	N1	C3	109.238	H2	N1	C4	109.238
C3	N1	C4	60.242	C3	C4	H7	119.562
C3	C4	H8	117.692	C4	C3	H5	119.562
C4	C3	H6	117.692	H5	C3	H6	115.486
H7	C4	H8	115.486

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)