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	hartrees
Energy at 0K	-131.402936
Energy at 298.15K	-131.405852
HF Energy	-131.060832
Nuclear repulsion energy	61.438788

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3227	3158
2	A'	3154	3087
3	A'	1559	1526
4	A'	1448	1417
5	A'	1181	1156
6	A'	1008	986
7	A'	921	901
8	A'	566	554
9	A"	3265	3196
10	A"	1099	1075
11	A"	953	932
12	A"	767	751

Atom	x (Å)	y (Å)	z (Å)
N1	-0.910	-0.151	0.000
C2	0.000	0.771	0.000
C3	0.699	-0.571	0.000
H4	0.072	1.849	0.000
H5	1.054	-0.995	0.933
H6	1.054	-0.995	-0.933

	N1	C2	C3	H4	H5	H6
N1		1.2955	1.6635	2.2277	2.3329	2.3329
C2	1.2955		1.5134	1.0803	2.2585	2.2585
C3	1.6635	1.5134		2.5002	1.0843	1.0843
H4	2.2277	1.0803	2.5002		3.1503	3.1503
H5	2.3329	2.2585	1.0843	3.1503		1.8655
H6	2.3329	2.2585	1.0843	3.1503	1.8655

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	72.158	N1	C2	H4	139.154
N1	C3	C2	47.842	N1	C3	H5	114.560
N1	C3	H6	114.560	C2	N1	C3	60.000
C2	C3	N1	47.842	C2	C3	H5	119.864
C2	C3	H6	119.864	C3	C2	H4	148.688
H5	C3	H6	118.683

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

using model chemistry: MP4=FULL/3-21G

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: MP4=FULL/3-21G

States and conformations

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