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	hartrees
Energy at 0K	-133.541192
Energy at 298.15K	-133.547400
HF Energy	-133.051370
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3580	3384	0.67
2	A'	3289	3110	30.93
3	A'	3196	3021	15.18
4	A'	1581	1495	2.24
5	A'	1314	1243	3.76
6	A'	1274	1205	13.07
7	A'	1162	1099	3.03
8	A'	1026	970	11.21
9	A'	899	850	58.66
10	A'	799	755	26.63
11	A"	3277	3098	0.58
12	A"	3188	3014	27.57
13	A"	1547	1463	0.09
14	A"	1304	1233	11.14
15	A"	1190	1125	3.42
16	A"	1152	1089	1.45
17	A"	942	890	15.17
18	A"	888	839	0.43

Atom	x (Å)	y (Å)	z (Å)
N1	-0.038	0.876	0.000
H2	0.895	1.277	0.000
C3	-0.038	-0.399	0.742
C4	-0.038	-0.399	-0.742
H5	-0.953	-0.608	1.281
H6	0.870	-0.702	1.250
H7	-0.953	-0.608	-1.281
H8	0.870	-0.702	-1.250

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0160	1.4753	1.4753	2.1629	2.2086	2.1629	2.2086
H2	1.0160		2.0574	2.0574	2.9341	2.3415	2.9341	2.3415
C3	1.4753	2.0574		1.4844	1.0818	1.0838	2.2299	2.2106
C4	1.4753	2.0574	1.4844		2.2299	2.2106	1.0818	1.0838
H5	2.1629	2.9341	1.0818	2.2299		1.8255	2.5615	3.1206
H6	2.2086	2.3415	1.0838	2.2106	1.8255		3.1206	2.5007
H7	2.1629	2.9341	2.2299	1.0818	2.5615	3.1206		1.8255
H8	2.2086	2.3415	2.2106	1.0838	3.1206	2.5007	1.8255

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.795	N1	C3	H5	114.650
N1	C3	H6	118.518	N1	C4	C3	59.795
N1	C4	H7	114.650	N1	C4	H8	118.518
H2	N1	C3	109.974	H2	N1	C4	109.974
C3	N1	C4	60.409	C3	C4	H7	119.856
C3	C4	H8	117.961	C4	C3	H5	119.856
C4	C3	H6	117.961	H5	C3	H6	114.911
H7	C4	H8	114.911

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: QCISD/6-31+G**

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: QCISD/6-31+G**

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)