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	hartrees
Energy at 0K	-132.312389
Energy at 298.15K	-132.315399
HF Energy	-131.852833
Nuclear repulsion energy	62.911050

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3272	3171	0.83
2	A'	3158	3061	17.16
3	A'	1629	1579	5.35
4	A'	1498	1452	0.22
5	A'	1285	1245	7.02
6	A'	1034	1002	0.34
7	A'	991	960	48.80
8	A'	652	632	9.56
9	A"	3266	3165	13.14
10	A"	1101	1067	1.67
11	A"	976	946	0.89
12	A"	766	743	18.33

Atom	x (Å)	y (Å)	z (Å)
N1	-0.875	-0.178	0.000
C2	0.000	0.758	0.000
C3	0.667	-0.536	0.000
H4	0.034	1.846	0.000
H5	1.044	-0.965	0.931
H6	1.044	-0.965	-0.931

	N1	C2	C3	H4	H5	H6
N1		1.2807	1.5831	2.2186	2.2736	2.2736
C2	1.2807		1.4556	1.0891	2.2188	2.2188
C3	1.5831	1.4556		2.4652	1.0920	1.0920
H4	2.2186	1.0891	2.4652		3.1286	3.1286
H5	2.2736	2.2188	1.0920	3.1286		1.8619
H6	2.2736	2.2188	1.0920	3.1286	1.8619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.362	N1	C2	H4	138.689
N1	C3	C2	49.638	N1	C3	H5	115.170
N1	C3	H6	115.170	C2	N1	C3	60.000
C2	C3	N1	49.638	C2	C3	H5	120.462
C2	C3	H6	120.462	C3	C2	H4	150.950
H5	C3	H6	116.973

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

using model chemistry: MP2=FULL/aug-cc-pVDZ

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: MP2=FULL/aug-cc-pVDZ

States and conformations

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