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	hartrees
Energy at 0K	-132.076056
Energy at 298.15K	-132.079019
HF Energy	-131.747972
Nuclear repulsion energy	61.993665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3255	3136	1.14
2	A'	3146	3032	7.44
3	A'	1628	1569	5.62
4	A'	1534	1478	0.50
5	A'	1253	1207	13.18
6	A'	1065	1027	13.19
7	A'	990	954	40.16
8	A'	585	563	4.70
9	A"	3247	3128	20.05
10	A"	1118	1077	0.93
11	A"	962	927	0.12
12	A"	770	742	24.60

Atom	x (Å)	y (Å)	z (Å)
N1	-0.898	-0.159	0.000
C2	0.000	0.765	0.000
C3	0.685	-0.558	0.000
H4	0.060	1.847	0.000
H5	1.059	-0.987	0.928
H6	1.059	-0.987	-0.928

	N1	C2	C3	H4	H5	H6
N1		1.2888	1.6321	2.2236	2.3183	2.3183
C2	1.2888		1.4904	1.0838	2.2479	2.2479
C3	1.6321	1.4904		2.4857	1.0886	1.0886
H4	2.2236	1.0838	2.4857		3.1454	3.1454
H5	2.3183	2.2479	1.0886	3.1454		1.8564
H6	2.3183	2.2479	1.0886	3.1454	1.8564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	71.508	N1	C2	H4	139.011
N1	C3	C2	48.492	N1	C3	H5	115.424
N1	C3	H6	115.424	C2	N1	C3	60.000
C2	C3	N1	48.492	C2	C3	H5	120.499
C2	C3	H6	120.499	C3	C2	H4	149.481
H5	C3	H6	117.002

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

using model chemistry: QCISD/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: QCISD/6-31G

States and conformations

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