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	hartrees
Energy at 0K	-132.316055
Energy at 298.15K	-132.319145
HF Energy	-131.846906
Nuclear repulsion energy	63.766087

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3338	3109	0.61
2	A'	3214	2994	19.09
3	A'	1794	1671	10.36
4	A'	1579	1471	0.11
5	A'	1364	1271	8.10
6	A'	1100	1025	0.45
7	A'	1049	977	51.07
8	A'	725	676	11.89
9	A"	3307	3080	20.63
10	A"	1152	1073	2.04
11	A"	1015	945	0.26
12	A"	804	749	20.69

Atom	x (Å)	y (Å)	z (Å)
N1	-0.866	-0.169	0.000
C2	0.000	0.745	0.000
C3	0.656	-0.532	0.000
H4	0.044	1.820	0.000
H5	1.040	-0.957	0.916
H6	1.040	-0.957	-0.916

	N1	C2	C3	H4	H5	H6
N1		1.2589	1.5641	2.1872	2.2565	2.2565
C2	1.2589		1.4360	1.0759	2.1951	2.1951
C3	1.5641	1.4360		2.4309	1.0804	1.0804
H4	2.1872	1.0759	2.4309		3.0895	3.0895
H5	2.2565	2.1951	1.0804	3.0895		1.8320
H6	2.2565	2.1951	1.0804	3.0895	1.8320

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.604	N1	C2	H4	138.896
N1	C3	C2	49.396	N1	C3	H5	115.937
N1	C3	H6	115.937	C2	N1	C3	60.000
C2	C3	N1	49.396	C2	C3	H5	120.808
C2	C3	H6	120.808	C3	C2	H4	150.501
H5	C3	H6	115.964

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

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

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