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	hartrees
Energy at 0K	-132.280752
Energy at 298.15K	-132.283776
HF Energy	-131.845394
Nuclear repulsion energy	62.963315

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3270	3114	1.02
2	A'	3158	3008	15.37
3	A'	1649	1571	5.26
4	A'	1501	1429	0.08
5	A'	1307	1245	8.01
6	A'	1033	984	0.76
7	A'	993	946	48.53
8	A'	671	639	7.45
9	A"	3265	3110	17.81
10	A"	1112	1059	1.56
11	A"	982	935	0.56
12	A"	777	740	15.79

Atom	x (Å)	y (Å)	z (Å)
N1	-0.874	-0.178	0.000
C2	0.000	0.757	0.000
C3	0.664	-0.535	0.000
H4	0.036	1.848	0.000
H5	1.047	-0.964	0.932
H6	1.047	-0.964	-0.932

	N1	C2	C3	H4	H5	H6
N1		1.2796	1.5785	2.2216	2.2749	2.2749
C2	1.2796		1.4523	1.0925	2.2196	2.2196
C3	1.5785	1.4523		2.4649	1.0955	1.0955
H4	2.2216	1.0925	2.4649		3.1311	3.1311
H5	2.2749	2.2196	1.0955	3.1311		1.8648
H6	2.2749	2.2196	1.0955	3.1311	1.8648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.267	N1	C2	H4	138.826
N1	C3	C2	49.733	N1	C3	H5	115.394
N1	C3	H6	115.394	C2	N1	C3	60.000
C2	C3	N1	49.733	C2	C3	H5	120.550
C2	C3	H6	120.550	C3	C2	H4	150.906
H5	C3	H6	116.662

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

using model chemistry: MP2/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/cc-pVDZ

States and conformations

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