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	hartrees
Energy at 0K	-132.327632
Energy at 298.15K	-132.330637
HF Energy	-131.845412
Nuclear repulsion energy	62.889884

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3234	3115
2	A'	3124	3009
3	A'	1679	1617
4	A'	1497	1442
5	A'	1307	1259
6	A'	1029	991
7	A'	985	949
8	A'	659	635
9	A"	3222	3104
10	A"	1096	1056
11	A"	968	933
12	A"	760	732

Atom	x (Å)	y (Å)	z (Å)
N1	-0.876	-0.173	0.000
C2	0.000	0.755	0.000
C3	0.665	-0.539	0.000
H4	0.040	1.849	0.000
H5	1.052	-0.969	0.933
H6	1.052	-0.969	-0.933

	N1	C2	C3	H4	H5	H6
N1		1.2765	1.5841	2.2201	2.2855	2.2855
C2	1.2765		1.4549	1.0947	2.2249	2.2249
C3	1.5841	1.4549		2.4685	1.0979	1.0979
H4	2.2201	1.0947	2.4685		3.1364	3.1364
H5	2.2855	2.2249	1.0979	3.1364		1.8659
H6	2.2855	2.2249	1.0979	3.1364	1.8659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.550	N1	C2	H4	138.738
N1	C3	C2	49.450	N1	C3	H5	115.706
N1	C3	H6	115.706	C2	N1	C3	60.000
C2	C3	N1	49.450	C2	C3	H5	120.639
C2	C3	H6	120.639	C3	C2	H4	150.712
H5	C3	H6	116.373

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

using model chemistry: CCSD(T)=FULL/cc-pVDZ

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(T)=FULL/cc-pVDZ

States and conformations

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