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	hartrees
Energy at 0K	-133.881572
Energy at 298.15K	-133.887747
Nuclear repulsion energy	76.255714

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3533	3386	0.17
2	A'	3220	3086	37.06
3	A'	3130	3000	17.02
4	A'	1543	1479	1.52
5	A'	1310	1255	1.54
6	A'	1258	1205	22.45
7	A'	1125	1078	6.45
8	A'	1009	967	7.51
9	A'	898	860	57.25
10	A'	775	743	26.93
11	A"	3207	3074	0.61
12	A"	3124	2994	32.94
13	A"	1506	1443	0.00
14	A"	1278	1225	9.68
15	A"	1154	1106	3.09
16	A"	1108	1062	2.80
17	A"	922	884	12.69
18	A"	903	866	0.05

Atom	x (Å)	y (Å)	z (Å)
N1	-0.038	0.870	0.000
H2	0.897	1.271	0.000
C3	-0.038	-0.394	0.741
C4	-0.038	-0.394	-0.741
H5	-0.956	-0.606	1.284
H6	0.870	-0.711	1.250
H7	-0.956	-0.606	-1.284
H8	0.870	-0.711	-1.250

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0175	1.4651	1.4651	2.1612	2.2112	2.1612	2.2112
H2	1.0175		2.0483	2.0483	2.9337	2.3440	2.9337	2.3440
C3	1.4651	2.0483		1.4812	1.0874	1.0886	2.2328	2.2112
C4	1.4651	2.0483	1.4812		2.2328	2.2112	1.0874	1.0886
H5	2.1612	2.9337	1.0874	2.2328		1.8291	2.5674	3.1251
H6	2.2112	2.3440	1.0886	2.2112	1.8291		3.1251	2.5009
H7	2.1612	2.9337	2.2328	1.0874	2.5674	3.1251		1.8291
H8	2.2112	2.3440	2.2112	1.0886	3.1251	2.5009	1.8291

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.636	N1	C3	H5	114.902
N1	C3	H6	119.224	N1	C4	C3	59.636
N1	C4	H7	114.902	N1	C4	H8	119.224
H2	N1	C3	109.878	H2	N1	C4	109.878
C3	N1	C4	60.727	C3	C4	H7	119.965
C3	C4	H8	117.926	C4	C3	H5	119.965
C4	C3	H6	117.926	H5	C3	H6	114.400
H7	C4	H8	114.400

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: B3PW91/6-31G**

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	-0.489
2	H	0.266
3	C	-0.166
4	C	-0.166
5	H	0.147
6	H	0.131
7	H	0.147
8	H	0.131

	x	y	z	Total
	1.398	-1.094	0.000	1.775
CHELPG
AIM
ESP

<r²>	39.426
(<r²>)^1/2	6.279

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: B3PW91/6-31G**

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)