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	hartrees
Energy at 0K	-132.062416
Energy at 298.15K	-132.065330
HF Energy	-131.758410
Nuclear repulsion energy	61.058983

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3279	3158	3.41
2	A'	3150	3034	17.19
3	A'	1542	1485	1.14
4	A'	1447	1394	4.31
5	A'	1190	1146	17.36
6	A'	1042	1004	16.67
7	A'	963	927	44.70
8	A'	562	541	3.14
9	A"	3278	3157	22.99
10	A"	1112	1071	0.46
11	A"	950	914	0.88
12	A"	751	723	27.45

Atom	x (Å)	y (Å)	z (Å)
N1	-0.911	-0.169	0.000
C2	0.000	0.782	0.000
C3	0.700	-0.564	0.000
H4	0.061	1.866	0.000
H5	1.059	-0.995	0.937
H6	1.059	-0.995	-0.937

	N1	C2	C3	H4	H5	H6
N1		1.3173	1.6588	2.2556	2.3332	2.3332
C2	1.3173		1.5172	1.0855	2.2715	2.2715
C3	1.6588	1.5172		2.5124	1.0921	1.0921
H4	2.2556	1.0855	2.5124		3.1719	3.1719
H5	2.3332	2.2715	1.0921	3.1719		1.8731
H6	2.3332	2.2715	1.0921	3.1719	1.8731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	71.239	N1	C2	H4	139.471
N1	C3	C2	48.761	N1	C3	H5	114.450
N1	C3	H6	114.450	C2	N1	C3	60.000
C2	C3	N1	48.761	C2	C3	H5	120.162
C2	C3	H6	120.162	C3	C2	H4	149.290
H5	C3	H6	118.093

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

using model chemistry: MP2/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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All results from a given calculation for CHNCH2 (2H-Azirine)

using model chemistry: MP2/LANL2DZ

States and conformations

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