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	hartrees
Energy at 0K	-132.984677
Energy at 298.15K	-132.990967
Nuclear repulsion energy	75.905990

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3794	3414	2.84
2	A'	3441	3096	57.62
3	A'	3334	3001	20.93
4	A'	1666	1499	0.95
5	A'	1370	1233	6.83
6	A'	1333	1200	18.56
7	A'	1237	1113	0.99
8	A'	1060	954	16.15
9	A'	919	827	48.35
10	A'	843	758	96.42
11	A"	3426	3083	1.67
12	A"	3320	2988	47.00
13	A"	1638	1474	1.32
14	A"	1389	1250	10.51
15	A"	1286	1157	10.85
16	A"	1263	1137	0.06
17	A"	1013	912	15.14
18	A"	927	834	4.71

Atom	x (Å)	y (Å)	z (Å)
N1	-0.036	0.872	0.000
H2	0.830	1.377	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	1.4791	1.4791	2.1627	2.2067	2.1627	2.2067
H2	1.0024		2.1168	2.1168	2.9579	2.4315	2.9579	2.4315
C3	1.4791	2.1168		1.5005	1.0708	1.0743	2.2367	2.2184
C4	1.4791	2.1168	1.5005		2.2367	2.2184	1.0708	1.0743
H5	2.1627	2.9579	1.0708	2.2367		1.8045	2.5698	3.1158
H6	2.2067	2.4315	1.0743	2.2184	1.8045		3.1158	2.5106
H7	2.1627	2.9579	2.2367	1.0708	2.5698	3.1158		1.8045
H8	2.2067	2.4315	2.2184	1.0743	3.1158	2.5106	1.8045

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.520	N1	C3	H5	115.087
N1	C3	H6	118.733	N1	C4	C3	59.520
N1	C4	H7	115.087	N1	C4	H8	118.733
H2	N1	C3	115.757	H2	N1	C4	115.757
C3	N1	C4	60.961	C3	C4	H7	119.953
C3	C4	H8	118.043	C4	C3	H5	119.953
C4	C3	H6	118.043	H5	C3	H6	114.536
H7	C4	H8	114.536

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: HF/LANL2DZ

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	0.285
3	C	-0.281
4	C	-0.281
5	H	0.204
6	H	0.182
7	H	0.204
8	H	0.182

	x	y	z	Total
	1.747	-1.465	0.000	2.280
CHELPG
AIM
ESP

	x	y	z
x	3.364	0.233	0.000
y	0.233	3.620	0.000
z	0.000	0.000	4.364

<r²>	40.173
(<r²>)^1/2	6.338

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)