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	hartrees
Energy at 0K	-130.788050
Energy at 298.15K	-130.791053
HF Energy	-130.715639
Nuclear repulsion energy	61.920229

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3523	3523	28.63
2	A'	3386	3386	2.41
3	A'	1722	1722	0.76
4	A'	1593	1593	0.89
5	A'	1382	1382	7.92
6	A'	1115	1115	20.35
7	A'	1051	1051	8.22
8	A'	874	874	1.36
9	A"	3541	3541	1.80
10	A"	1164	1164	4.84
11	A"	1057	1057	0.36
12	A"	782	782	11.11

Atom	x (Å)	y (Å)	z (Å)
N1	-0.888	-0.202	0.000
C2	0.000	0.779	0.000
C3	0.666	-0.537	0.000
H4	0.061	1.873	0.000
H5	1.081	-0.955	0.930
H6	1.081	-0.955	-0.930

	N1	C2	C3	H4	H5	H6
N1		1.3234	1.5904	2.2818	2.3040	2.3040
C2	1.3234		1.4751	1.0958	2.2444	2.2444
C3	1.5904	1.4751		2.4850	1.1002	1.1002
H4	2.2818	1.0958	2.4850		3.1463	3.1463
H5	2.3040	2.2444	1.1002	3.1463		1.8593
H6	2.3040	2.2444	1.1002	3.1463	1.8593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	69.018	N1	C2	H4	141.026
N1	C3	C2	50.982	N1	C3	H5	116.637
N1	C3	H6	116.637	C2	N1	C3	60.000
C2	C3	N1	50.982	C2	C3	H5	120.579
C2	C3	H6	120.579	C3	C2	H4	149.956
H5	C3	H6	115.344

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

using model chemistry: B2PLYP=FULL/STO-3G

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: B2PLYP=FULL/STO-3G

States and conformations

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