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	hartrees
Energy at 0K	-133.881496
Energy at 298.15K	-133.887661
Nuclear repulsion energy	76.081213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3500	3377	0.45
2	A'	3209	3096	33.64
3	A'	3114	3005	14.24
4	A'	1508	1455	1.17
5	A'	1301	1256	0.93
6	A'	1252	1208	20.48
7	A'	1110	1071	4.91
8	A'	997	962	6.15
9	A'	895	863	56.53
10	A'	770	743	20.77
11	A"	3195	3083	0.41
12	A"	3107	2998	30.59
13	A"	1465	1413	0.05
14	A"	1261	1217	8.38
15	A"	1136	1096	1.90
16	A"	1090	1052	2.02
17	A"	908	876	9.66
18	A"	898	867	1.34

Atom	x (Å)	y (Å)	z (Å)
N1	-0.038	0.872	0.000
H2	0.906	1.263	0.000
C3	-0.038	-0.394	0.741
C4	-0.038	-0.394	-0.741
H5	-0.963	-0.607	1.286
H6	0.874	-0.714	1.255
H7	-0.963	-0.607	-1.286
H8	0.874	-0.714	-1.255

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0223	1.4666	1.4666	2.1671	2.2189	2.1671	2.2189
H2	1.0223		2.0457	2.0457	2.9401	2.3418	2.9401	2.3418
C3	1.4666	2.0457		1.4829	1.0943	1.0953	2.2387	2.2185
C4	1.4666	2.0457	1.4829		2.2387	2.2185	1.0943	1.0953
H5	2.1671	2.9401	1.0943	2.2387		1.8410	2.5721	3.1376
H6	2.2189	2.3418	1.0953	2.2185	1.8410		3.1376	2.5098
H7	2.1671	2.9401	2.2387	1.0943	2.5721	3.1376		1.8410
H8	2.2189	2.3418	2.2185	1.0953	3.1376	2.5098	1.8410

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.630	N1	C3	H5	114.832
N1	C3	H6	119.321	N1	C4	C3	59.630
N1	C4	H7	114.832	N1	C4	H8	119.321
H2	N1	C3	109.258	H2	N1	C4	109.258
C3	N1	C4	60.741	C3	C4	H7	119.846
C3	C4	H8	117.954	C4	C3	H5	119.846
C4	C3	H6	117.954	H5	C3	H6	114.447
H7	C4	H8	114.447

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: B3PW91/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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Number	Element	Mulliken
1	N	-0.222
2	H	0.103
3	C	-0.043
4	C	-0.043
5	H	0.056
6	H	0.046
7	H	0.056
8	H	0.046

	x	y	z	Total
	1.272	-0.944	0.000	1.584
CHELPG
AIM
ESP

<r²>	39.597
(<r²>)^1/2	6.293

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)