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	hartrees
Energy at 0K	-133.940714
Energy at 298.15K	-133.946866
Nuclear repulsion energy	75.838906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3496	3392	1.29
2	A'	3208	3113	30.02
3	A'	3116	3024	17.87
4	A'	1512	1468	1.07
5	A'	1285	1247	3.64
6	A'	1237	1200	18.14
7	A'	1104	1072	6.72
8	A'	1002	972	8.50
9	A'	867	841	53.84
10	A'	771	749	21.70
11	A"	3195	3101	0.37
12	A"	3111	3019	31.52
13	A"	1481	1438	0.25
14	A"	1254	1217	9.49
15	A"	1141	1107	1.95
16	A"	1100	1067	1.24
17	A"	911	884	11.63
18	A"	853	827	0.00

Atom	x (Å)	y (Å)	z (Å)
N1	-0.038	0.877	0.000
H2	0.897	1.282	0.000
C3	-0.038	-0.399	0.744
C4	-0.038	-0.399	-0.744
H5	-0.961	-0.608	1.286
H6	0.875	-0.705	1.258
H7	-0.961	-0.608	-1.286
H8	0.875	-0.705	-1.258

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0192	1.4772	1.4772	2.1703	2.2179	2.1703	2.2179
H2	1.0192		2.0624	2.0624	2.9458	2.3516	2.9458	2.3516
C3	1.4772	2.0624		1.4875	1.0906	1.0917	2.2395	2.2210
C4	1.4772	2.0624	1.4875		2.2395	2.2210	1.0906	1.0917
H5	2.1703	2.9458	1.0906	2.2395		1.8391	2.5721	3.1387
H6	2.2179	2.3516	1.0917	2.2210	1.8391		3.1387	2.5151
H7	2.1703	2.9458	2.2395	1.0906	2.5721	3.1387		1.8391
H8	2.2179	2.3516	2.2210	1.0917	3.1387	2.5151	1.8391

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.768	N1	C3	H5	114.555
N1	C3	H6	118.629	N1	C4	C3	59.768
N1	C4	H7	114.555	N1	C4	H8	118.629
H2	N1	C3	110.065	H2	N1	C4	110.065
C3	N1	C4	60.463	C3	C4	H7	119.818
C3	C4	H8	118.078	C4	C3	H5	119.818
C4	C3	H6	118.078	H5	C3	H6	114.858
H7	C4	H8	114.858

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: B3LYP/aug-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	-0.254
2	H	-0.069
3	C	1.333
4	C	1.333
5	H	-0.585
6	H	-0.587
7	H	-0.585
8	H	-0.587

	x	y	z
x	4.597	0.055	0.000
y	0.055	5.048	0.000
z	0.000	0.000	5.367

<r²>	40.180
(<r²>)^1/2	6.339

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)