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	hartrees
Energy at 0K	-132.061872
Energy at 298.15K	-132.064839
HF Energy	-131.746661
Nuclear repulsion energy	61.831578

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3302	3137	2.05
2	A'	3196	3037	6.92
3	A'	1591	1512	2.36
4	A'	1503	1428	2.39
5	A'	1241	1179	15.85
6	A'	1070	1017	14.73
7	A'	986	937	35.92
8	A'	576	547	3.11
9	A"	3309	3144	18.39
10	A"	1136	1080	0.84
11	A"	980	931	0.41
12	A"	786	747	25.06

Atom	x (Å)	y (Å)	z (Å)
N1	-0.899	-0.167	0.000
C2	0.000	0.771	0.000
C3	0.688	-0.557	0.000
H4	0.056	1.850	0.000
H5	1.053	-0.984	0.928
H6	1.053	-0.984	-0.928

	N1	C2	C3	H4	H5	H6
N1		1.2989	1.6346	2.2309	2.3111	2.3111
C2	1.2989		1.4953	1.0803	2.2474	2.2474
C3	1.6346	1.4953		2.4880	1.0847	1.0847
H4	2.2309	1.0803	2.4880		3.1445	3.1445
H5	2.3111	2.2474	1.0847	3.1445		1.8551
H6	2.3111	2.2474	1.0847	3.1445	1.8551

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	71.212	N1	C2	H4	139.154
N1	C3	C2	48.788	N1	C3	H5	114.889
N1	C3	H6	114.889	C2	N1	C3	60.000
C2	C3	N1	48.788	C2	C3	H5	120.336
C2	C3	H6	120.336	C3	C2	H4	149.634
H5	C3	H6	117.540

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G

States and conformations

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