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	hartrees
Energy at 0K	-131.373562
Energy at 298.15K	-131.376512
HF Energy	-131.061661
Nuclear repulsion energy	61.642034

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3290	3119	1.86
2	A'	3214	3047	4.00
3	A'	1584	1502	1.41
4	A'	1442	1367	3.99
5	A'	1196	1134	18.67
6	A'	1033	979	21.74
7	A'	937	888	33.56
8	A'	583	553	1.58
9	A"	3330	3157	11.20
10	A"	1125	1066	1.16
11	A"	977	926	0.59
12	A"	797	755	26.30

Atom	x (Å)	y (Å)	z (Å)
N1	-0.906	-0.156	0.000
C2	0.000	0.770	0.000
C3	0.696	-0.566	0.000
H4	0.071	1.844	0.000
H5	1.047	-0.989	0.930
H6	1.047	-0.989	-0.930

	N1	C2	C3	H4	H5	H6
N1		1.2956	1.6544	2.2251	2.3182	2.3182
C2	1.2956		1.5074	1.0755	2.2485	2.2485
C3	1.6544	1.5074		2.4899	1.0798	1.0798
H4	2.2251	1.0755	2.4899		3.1368	3.1368
H5	2.3182	2.2485	1.0798	3.1368		1.8596
H6	2.3182	2.2485	1.0798	3.1368	1.8596

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	71.895	N1	C2	H4	139.392
N1	C3	C2	48.105	N1	C3	H5	114.317
N1	C3	H6	114.317	C2	N1	C3	60.000
C2	C3	N1	48.105	C2	C3	H5	119.797
C2	C3	H6	119.797	C3	C2	H4	148.713
H5	C3	H6	118.885

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

using model chemistry: MP2=FULL/3-21G*

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/3-21G*

States and conformations

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