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	hartrees
Energy at 0K	-133.095578
Energy at 298.15K	-133.101892
HF Energy	-133.095578
Nuclear repulsion energy	77.149067

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3776	3422	4.73
2	A'	3346	3033	44.93
3	A'	3262	2957	18.38
4	A'	1659	1504	1.74
5	A'	1391	1261	9.88
6	A'	1351	1224	19.41
7	A'	1237	1121	0.31
8	A'	1081	979	16.61
9	A'	952	863	79.90
10	A'	842	763	21.55
11	A"	3330	3019	0.85
12	A"	3252	2948	43.82
13	A"	1619	1468	0.02
14	A"	1380	1251	9.83
15	A"	1259	1141	2.73
16	A"	1246	1129	0.20
17	A"	1001	907	12.14
18	A"	959	870	1.71

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	-0.606	1.272
H6	0.864	-0.687	1.239
H7	-0.941	-0.606	-1.272
H8	0.864	-0.687	-1.239

	N1	H2	C3	C4	H5	H6	H7	H8
N1		0.9966	1.4476	1.4476	2.1386	2.1748	2.1386	2.1748
H2	0.9966		2.0382	2.0382	2.9057	2.3275	2.9057	2.3275
C3	1.4476	2.0382		1.4686	1.0734	1.0747	2.2112	2.1898
C4	1.4476	2.0382	1.4686		2.2112	2.1898	1.0734	1.0747
H5	2.1386	2.9057	1.0734	2.2112		1.8071	2.5448	3.0942
H6	2.1748	2.3275	1.0747	2.1898	1.8071		3.0942	2.4789
H7	2.1386	2.9057	2.2112	1.0734	2.5448	3.0942		1.8071
H8	2.1748	2.3275	2.1898	1.0747	3.0942	2.4789	1.8071

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.520	N1	C3	H5	115.252
N1	C3	H6	118.382	N1	C4	C3	59.520
N1	C4	H7	115.252	N1	C4	H8	118.382
H2	N1	C3	111.672	H2	N1	C4	111.672
C3	N1	C4	60.960	C3	C4	H7	120.087
C3	C4	H8	118.037	C4	C3	H5	120.087
C4	C3	H6	118.037	H5	C3	H6	114.549
H7	C4	H8	114.549

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: HF/Def2TZVPP

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	-0.377
2	H	0.150
3	C	0.026
4	C	0.026
5	H	0.038
6	H	0.049
7	H	0.038
8	H	0.049

	x	y	z	Total
	1.361	-1.138	0.000	1.774
CHELPG
AIM
ESP

	x	y	z
x	3.992	0.138	0.000
y	0.138	4.196	0.000
z	0.000	0.000	4.807

<r²>	39.061
(<r²>)^1/2	6.250

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)