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	hartrees
Energy at 0K	-132.295492
Energy at 298.15K	-132.298513
HF Energy	-131.835214
Nuclear repulsion energy	63.220617

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3240	3109
2	A'	3130	3002
3	A'	1698	1629
4	A'	1540	1478
5	A'	1319	1265
6	A'	1057	1014
7	A'	1014	972
8	A'	682	654
9	A"	3218	3087
10	A"	1127	1081
11	A"	989	948
12	A"	760	729

Atom	x (Å)	y (Å)	z (Å)
N1	-0.872	-0.174	0.000
C2	0.000	0.753	0.000
C3	0.661	-0.535	0.000
H4	0.040	1.839	0.000
H5	1.047	-0.965	0.924
H6	1.047	-0.965	-0.924

	N1	C2	C3	H4	H5	H6
N1		1.2719	1.5745	2.2096	2.2724	2.2724
C2	1.2719		1.4472	1.0871	2.2143	2.2143
C3	1.5745	1.4472		2.4535	1.0906	1.0906
H4	2.2096	1.0871	2.4535		3.1197	3.1197
H5	2.2724	2.2143	1.0906	3.1197		1.8490
H6	2.2724	2.2143	1.0906	3.1197	1.8490

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.434	N1	C2	H4	138.871
N1	C3	C2	49.566	N1	C3	H5	115.808
N1	C3	H6	115.808	C2	N1	C3	60.000
C2	C3	N1	49.566	C2	C3	H5	120.866
C2	C3	H6	120.866	C3	C2	H4	150.695
H5	C3	H6	115.928

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

using model chemistry: QCISD(T)/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(T)/6-31G*

States and conformations

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