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	hartrees
Energy at 0K	-132.072130
Energy at 298.15K	-132.075124
HF Energy	-131.748754
Nuclear repulsion energy	62.144256

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3266	3134	1.40
2	A'	3153	3026	8.09
3	A'	1657	1590	4.72
4	A'	1544	1481	0.35
5	A'	1269	1218	11.83
6	A'	1083	1039	11.47
7	A'	1005	965	36.85
8	A'	609	585	5.00
9	A"	3252	3120	21.21
10	A"	1128	1082	1.16
11	A"	980	940	0.21
12	A"	780	748	25.45

Atom	x (Å)	y (Å)	z (Å)
N1	-0.895	-0.159	0.000
C2	0.000	0.763	0.000
C3	0.682	-0.557	0.000
H4	0.061	1.845	0.000
H5	1.057	-0.986	0.927
H6	1.057	-0.986	-0.927

	N1	C2	C3	H4	H5	H6
N1		1.2851	1.6268	2.2201	2.3145	2.3145
C2	1.2851		1.4857	1.0832	2.2446	2.2446
C3	1.6268	1.4857		2.4804	1.0885	1.0885
H4	2.2201	1.0832	2.4804		3.1410	3.1410
H5	2.3145	2.2446	1.0885	3.1410		1.8543
H6	2.3145	2.2446	1.0885	3.1410	1.8543

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	71.489	N1	C2	H4	139.079
N1	C3	C2	48.511	N1	C3	H5	115.516
N1	C3	H6	115.516	C2	N1	C3	60.000
C2	C3	N1	48.511	C2	C3	H5	120.586
C2	C3	H6	120.586	C3	C2	H4	149.432
H5	C3	H6	116.802

All results from a given calculation for CHNCH₂ (2H-Azirine)

using model chemistry: CCD/6-31G

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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All results from a given calculation for CHNCH2 (2H-Azirine)

using model chemistry: CCD/6-31G

States and conformations

All results from a given calculation for CHNCH₂ (2H-Azirine)