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	hartrees
Energy at 0K	-132.322820
Energy at 298.15K	-132.325548
HF Energy	-131.808770
Nuclear repulsion energy	62.955727

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3400	3226	2.37
2	A'	3395	3220	17.24
3	A'	1738	1649	5.24
4	A'	1376	1305	12.82
5	A'	1084	1029	1.14
6	A'	903	857	24.80
7	A'	552	524	79.69
8	A"	3341	3169	15.34
9	A"	1159	1100	38.53
10	A"	978	927	13.52
11	A"	744	706	6.35
12	A"	552	524	2.97

Atom	x (Å)	y (Å)	z (Å)
N1	-0.035	0.903	0.000
C2	-0.035	-0.478	0.643
C3	-0.035	-0.478	-0.643
H4	0.943	1.211	0.000
H5	-0.143	-0.895	1.627
H6	-0.143	-0.895	-1.627

	N1	C2	C3	H4	H5	H6
N1		1.5232	1.5232	1.0248	2.4267	2.4267
C2	1.5232		1.2853	2.0549	1.0739	2.3096
C3	1.5232	1.2853		2.0549	2.3096	1.0739
H4	1.0248	2.0549	2.0549		2.8739	2.8739
H5	2.4267	1.0739	2.3096	2.8739		3.2530
H6	2.4267	2.3096	1.0739	2.8739	3.2530

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	65.045	N1	C2	H5	137.586
N1	C3	C2	65.045	N1	C3	H6	137.586
C2	N1	C3	49.909	C2	N1	H4	105.844
C2	C3	H6	156.373	C3	N1	H4	105.844
C3	C2	H5	156.373

All results from a given calculation for CHNHCH (1H-Azirine)

using model chemistry: MP2=FULL/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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