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	hartrees
Energy at 0K	-132.449185
Energy at 298.15K	-132.452214
HF Energy	-131.883187
Nuclear repulsion energy	63.528700

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3225	3076
2	A'	3112	2968
3	A'	1679	1601
4	A'	1512	1442
5	A'	1303	1242
6	A'	1049	1000
7	A'	999	953
8	A'	676	645
9	A"	3206	3058
10	A"	1109	1058
11	A"	984	938
12	A"	773	737

Atom	x (Å)	y (Å)	z (Å)
N1	-0.868	-0.170	0.000
C2	0.000	0.748	0.000
C3	0.660	-0.534	0.000
H4	0.037	1.828	0.000
H5	1.040	-0.960	0.922
H6	1.040	-0.960	-0.922

	N1	C2	C3	H4	H5	H6
N1		1.2629	1.5708	2.1937	2.2617	2.2617
C2	1.2629		1.4417	1.0815	2.2015	2.2015
C3	1.5708	1.4417		2.4434	1.0844	1.0844
H4	2.1937	1.0815	2.4434		3.1032	3.1032
H5	2.2617	2.2015	1.0844	3.1032		1.8445
H6	2.2617	2.2015	1.0844	3.1032	1.8445

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.657	N1	C2	H4	138.551
N1	C3	C2	49.343	N1	C3	H5	115.593
N1	C3	H6	115.593	C2	N1	C3	60.000
C2	C3	N1	49.343	C2	C3	H5	120.610
C2	C3	H6	120.610	C3	C2	H4	150.792
H5	C3	H6	116.521

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

using model chemistry: QCISD(T)/6-311+G(3df,2p)

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(T)/6-311+G(3df,2p)

States and conformations

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