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	hartrees
Energy at 0K	-132.985142
Energy at 298.15K	-132.991433
Nuclear repulsion energy	75.905019

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3793	3416	3.02
2	A'	3440	3097	56.51
3	A'	3333	3001	20.47
4	A'	1666	1500	0.94
5	A'	1370	1234	6.97
6	A'	1333	1200	18.52
7	A'	1237	1114	0.98
8	A'	1061	955	16.09
9	A'	919	828	48.64
10	A'	843	759	96.03
11	A"	3425	3084	1.71
12	A"	3319	2988	46.07
13	A"	1638	1475	1.35
14	A"	1389	1250	10.59
15	A"	1285	1157	10.85
16	A"	1263	1137	0.07
17	A"	1013	912	15.22
18	A"	927	834	4.67

Atom	x (Å)	y (Å)	z (Å)
N1	-0.036	0.872	0.000
H2	0.830	1.376	0.000
C3	-0.036	-0.403	0.750
C4	-0.036	-0.403	-0.750
H5	-0.939	-0.615	1.285
H6	0.863	-0.705	1.255
H7	-0.939	-0.615	-1.285
H8	0.863	-0.705	-1.255

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0024	1.4792	1.4792	2.1628	2.2066	2.1628	2.2066
H2	1.0024		2.1166	2.1166	2.9577	2.4307	2.9577	2.4307
C3	1.4792	2.1166		1.5004	1.0708	1.0743	2.2366	2.2183
C4	1.4792	2.1166	1.5004		2.2366	2.2183	1.0708	1.0743
H5	2.1628	2.9577	1.0708	2.2366		1.8046	2.5696	3.1157
H6	2.2066	2.4307	1.0743	2.2183	1.8046		3.1157	2.5104
H7	2.1628	2.9577	2.2366	1.0708	2.5696	3.1157		1.8046
H8	2.2066	2.4307	2.2183	1.0743	3.1157	2.5104	1.8046

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.524	N1	C3	H5	115.086
N1	C3	H6	118.712	N1	C4	C3	59.524
N1	C4	H7	115.086	N1	C4	H8	118.712
H2	N1	C3	115.722	H2	N1	C4	115.722
C3	N1	C4	60.953	C3	C4	H7	119.949
C3	C4	H8	118.038	C4	C3	H5	119.949
C4	C3	H6	118.038	H5	C3	H6	114.552
H7	C4	H8	114.552

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: HF/SDD

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	-0.495
2	H	0.287
3	C	-0.287
4	C	-0.287
5	H	0.206
6	H	0.185
7	H	0.206
8	H	0.185

	x	y	z	Total
	1.747	-1.462	0.000	2.278
CHELPG
AIM
ESP

	x	y	z
x	3.365	0.234	0.000
y	0.234	3.628	0.000
z	0.000	0.000	4.362

<r²>	40.169
(<r²>)^1/2	6.338

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: HF/SDD

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)