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	hartrees
Energy at 0K	-133.894075
Energy at 298.15K	-133.900155
Nuclear repulsion energy	75.353724

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3365	3352	1.69
2	A'	3106	3094	47.25
3	A'	3022	3010	20.29
4	A'	1483	1477	0.80
5	A'	1268	1263	7.26
6	A'	1190	1185	14.53
7	A'	1073	1069	10.98
8	A'	979	975	4.78
9	A'	831	828	31.13
10	A'	745	742	35.42
11	A"	3092	3080	0.89
12	A"	3018	3006	41.03
13	A"	1461	1455	0.00
14	A"	1237	1232	9.46
15	A"	1117	1112	2.99
16	A"	1064	1060	3.62
17	A"	887	884	12.23
18	A"	797	794	0.00

Atom	x (Å)	y (Å)	z (Å)
N1	-0.039	0.889	0.000
H2	0.914	1.271	0.000
C3	-0.039	-0.403	0.748
C4	-0.039	-0.403	-0.748
H5	-0.961	-0.613	1.291
H6	0.873	-0.718	1.261
H7	-0.961	-0.613	-1.291
H8	0.873	-0.718	-1.261

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0261	1.4924	1.4924	2.1848	2.2371	2.1848	2.2371
H2	1.0261		2.0654	2.0654	2.9546	2.3553	2.9546	2.3553
C3	1.4924	2.0654		1.4952	1.0912	1.0929	2.2476	2.2282
C4	1.4924	2.0654	1.4952		2.2476	2.2282	1.0912	1.0929
H5	2.1848	2.9546	1.0912	2.2476		1.8375	2.5823	3.1445
H6	2.2371	2.3553	1.0929	2.2282	1.8375		3.1445	2.5217
H7	2.1848	2.9546	2.2476	1.0912	2.5823	3.1445		1.8375
H8	2.2371	2.3553	2.2282	1.0929	3.1445	2.5217	1.8375

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.937	N1	C3	H5	114.591
N1	C3	H6	119.036	N1	C4	C3	59.937
N1	C4	H7	114.591	N1	C4	H8	119.036
H2	N1	C3	108.774	H2	N1	C4	108.774
C3	N1	C4	60.125	C3	C4	H7	119.876
C3	C4	H8	118.011	C4	C3	H5	119.876
C4	C3	H6	118.011	H5	C3	H6	114.567
H7	C4	H8	114.567

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: BLYP/6-311G**

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	-0.321
2	H	0.192
3	C	-0.168
4	C	-0.168
5	H	0.122
6	H	0.111
7	H	0.122
8	H	0.111

	x	y	z	Total
	1.292	-1.080	0.000	1.684
CHELPG
AIM
ESP

	x	y	z
x	4.144	0.192	0.000
y	0.192	4.059	0.000
z	0.000	0.000	4.853

<r²>	40.412
(<r²>)^1/2	6.357

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: BLYP/6-311G**

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)