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	hartrees
Energy at 0K	-132.344875
Energy at 298.15K	-132.347942
HF Energy	-131.868222
Nuclear repulsion energy	63.533538

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3255	3255	0.94
2	A'	3136	3136	19.09
3	A'	1730	1730	8.45
4	A'	1537	1537	0.08
5	A'	1337	1337	9.02
6	A'	1069	1069	0.03
7	A'	1021	1021	51.80
8	A'	701	701	10.39
9	A"	3227	3227	23.33
10	A"	1132	1132	2.23
11	A"	999	999	0.32
12	A"	802	802	16.99

Atom	x (Å)	y (Å)	z (Å)
N1	-0.868	-0.168	0.000
C2	0.000	0.747	0.000
C3	0.659	-0.535	0.000
H4	0.041	1.829	0.000
H5	1.042	-0.961	0.924
H6	1.042	-0.961	-0.924

	N1	C2	C3	H4	H5	H6
N1		1.2612	1.5707	2.1942	2.2649	2.2649
C2	1.2612		1.4411	1.0830	2.2034	2.2034
C3	1.5707	1.4411		2.4433	1.0870	1.0870
H4	2.1942	1.0830	2.4433		3.1046	3.1046
H5	2.2649	2.2034	1.0870	3.1046		1.8478
H6	2.2649	2.2034	1.0870	3.1046	1.8478

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.716	N1	C2	H4	138.657
N1	C3	C2	49.284	N1	C3	H5	115.711
N1	C3	H6	115.711	C2	N1	C3	60.000
C2	C3	N1	49.284	C2	C3	H5	120.637
C2	C3	H6	120.637	C3	C2	H4	150.626
H5	C3	H6	116.411

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

using model chemistry: CCSD/6-311G**

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: CCSD/6-311G**

States and conformations

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