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	hartrees
Energy at 0K	-131.398178
Energy at 298.15K	-131.401093
HF Energy	-131.060781
Nuclear repulsion energy	61.429760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3226	3129
2	A'	3154	3058
3	A'	1559	1512
4	A'	1447	1404
5	A'	1180	1145
6	A'	1007	977
7	A'	920	892
8	A'	565	548
9	A"	3264	3166
10	A"	1098	1065
11	A"	952	924
12	A"	767	743

Atom	x (Å)	y (Å)	z (Å)
N1	-0.911	-0.151	0.000
C2	0.000	0.771	0.000
C3	0.699	-0.572	0.000
H4	0.072	1.849	0.000
H5	1.054	-0.996	0.933
H6	1.054	-0.996	-0.933

	N1	C2	C3	H4	H5	H6
N1		1.2956	1.6639	2.2280	2.3333	2.3333
C2	1.2956		1.5137	1.0804	2.2588	2.2588
C3	1.6639	1.5137		2.5005	1.0845	1.0845
H4	2.2280	1.0804	2.5005		3.1506	3.1506
H5	2.3333	2.2588	1.0845	3.1506		1.8658
H6	2.3333	2.2588	1.0845	3.1506	1.8658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	72.163	N1	C2	H4	139.168
N1	C3	C2	47.837	N1	C3	H5	114.554
N1	C3	H6	114.554	C2	N1	C3	60.000
C2	C3	N1	47.837	C2	C3	H5	119.863
C2	C3	H6	119.863	C3	C2	H4	148.670
H5	C3	H6	118.689

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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