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	hartrees
Energy at 0K	-133.100452
Energy at 298.15K	-133.106769
Nuclear repulsion energy	77.174572

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3771	3426	5.04
2	A'	3343	3037	44.12
3	A'	3260	2961	18.90
4	A'	1660	1508	1.68
5	A'	1391	1264	10.20
6	A'	1351	1227	19.47
7	A'	1237	1123	0.33
8	A'	1081	982	17.09
9	A'	953	866	79.46
10	A'	842	765	21.41
11	A"	3327	3022	0.83
12	A"	3250	2953	43.66
13	A"	1620	1471	0.03
14	A"	1380	1254	9.78
15	A"	1260	1144	2.43
16	A"	1247	1132	0.20
17	A"	1001	909	12.14
18	A"	960	872	1.67

Atom	x (Å)	y (Å)	z (Å)
N1	-0.037	0.856	0.000
H2	0.863	1.283	0.000
C3	-0.037	-0.391	0.734
C4	-0.037	-0.391	-0.734
H5	-0.941	-0.604	1.272
H6	0.864	-0.687	1.239
H7	-0.941	-0.604	-1.272
H8	0.864	-0.687	-1.239

	N1	H2	C3	C4	H5	H6	H7	H8
N1		0.9962	1.4471	1.4471	2.1367	2.1743	2.1367	2.1743
H2	0.9962		2.0375	2.0375	2.9037	2.3273	2.9037	2.3273
C3	1.4471	2.0375		1.4681	1.0731	1.0743	2.2105	2.1890
C4	1.4471	2.0375	1.4681		2.2105	2.1890	1.0731	1.0743
H5	2.1367	2.9037	1.0731	2.2105		1.8070	2.5438	3.0933
H6	2.1743	2.3273	1.0743	2.1890	1.8070		3.0933	2.4778
H7	2.1367	2.9037	2.2105	1.0731	2.5438	3.0933		1.8070
H8	2.1743	2.3273	2.1890	1.0743	3.0933	2.4778	1.8070

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.517	N1	C3	H5	115.154
N1	C3	H6	118.417	N1	C4	C3	59.517
N1	C4	H7	115.154	N1	C4	H8	118.417
H2	N1	C3	111.678	H2	N1	C4	111.678
C3	N1	C4	60.966	C3	C4	H7	120.082
C3	C4	H8	118.029	C4	C3	H5	120.082
C4	C3	H6	118.029	H5	C3	H6	114.595
H7	C4	H8	114.595

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: HF/cc-pVQZ

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	-0.358
2	H	0.149
3	C	-0.069
4	C	-0.069
5	H	0.089
6	H	0.084
7	H	0.089
8	H	0.084

	x	y	z	Total
	1.346	-1.132	0.000	1.758
CHELPG
AIM
ESP

	x	y	z
x	4.038	0.108	0.000
y	0.108	4.286	0.000
z	0.000	0.000	4.820

<r²>	39.032
(<r²>)^1/2	6.248

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: HF/cc-pVQZ

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)