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	hartrees
Energy at 0K	-132.294851
Energy at 298.15K	-132.297915
HF Energy	-131.841477
Nuclear repulsion energy	63.511919

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3325	3107	1.23
2	A'	3209	2999	16.75
3	A'	1686	1576	6.24
4	A'	1563	1461	0.08
5	A'	1335	1248	8.10
6	A'	1080	1009	0.32
7	A'	1034	966	44.36
8	A'	701	655	8.15
9	A"	3312	3095	21.71
10	A"	1151	1075	1.62
11	A"	1014	948	0.26
12	A"	795	743	14.31

Atom	x (Å)	y (Å)	z (Å)
N1	-0.867	-0.179	0.000
C2	0.000	0.752	0.000
C3	0.658	-0.529	0.000
H4	0.039	1.829	0.000
H5	1.040	-0.955	0.918
H6	1.040	-0.955	-0.918

	N1	C2	C3	H4	H5	H6
N1		1.2723	1.5643	2.2027	2.2532	2.2532
C2	1.2723		1.4407	1.0771	2.1991	2.1991
C3	1.5643	1.4407		2.4380	1.0810	1.0810
H4	2.2027	1.0771	2.4380		3.0967	3.0967
H5	2.2532	2.1991	1.0810	3.0967		1.8356
H6	2.2532	2.1991	1.0810	3.0967	1.8356

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.112	N1	C2	H4	139.137
N1	C3	C2	49.888	N1	C3	H5	115.596
N1	C3	H6	115.596	C2	N1	C3	60.000
C2	C3	N1	49.888	C2	C3	H5	120.733
C2	C3	H6	120.733	C3	C2	H4	150.751
H5	C3	H6	116.204

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)