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	hartrees
Energy at 0K	-132.382618
Energy at 298.15K	-132.385671
HF Energy	-131.867358
Nuclear repulsion energy	63.425362

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3276	3108	0.87
2	A'	3163	3000	16.24
3	A'	1660	1575	4.97
4	A'	1526	1447	0.10
5	A'	1311	1244	9.10
6	A'	1057	1002	0.14
7	A'	1011	959	52.94
8	A'	684	649	8.44
9	A"	3265	3097	18.58
10	A"	1134	1076	1.76
11	A"	999	947	0.58
12	A"	802	760	17.07

Atom	x (Å)	y (Å)	z (Å)
N1	-0.868	-0.175	0.000
C2	0.000	0.751	0.000
C3	0.661	-0.532	0.000
H4	0.034	1.832	0.000
H5	1.038	-0.958	0.924
H6	1.038	-0.958	-0.924

	N1	C2	C3	H4	H5	H6
N1		1.2692	1.5703	2.2003	2.2580	2.2580
C2	1.2692		1.4435	1.0814	2.2025	2.2025
C3	1.5703	1.4435		2.4457	1.0849	1.0849
H4	2.2003	1.0814	2.4457		3.1053	3.1053
H5	2.2580	2.2025	1.0849	3.1053		1.8481
H6	2.2580	2.2025	1.0849	3.1053	1.8481

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.406	N1	C2	H4	138.668
N1	C3	C2	49.594	N1	C3	H5	115.295
N1	C3	H6	115.295	C2	N1	C3	60.000
C2	C3	N1	49.594	C2	C3	H5	120.516
C2	C3	H6	120.516	C3	C2	H4	150.926
H5	C3	H6	116.814

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

using model chemistry: MP2=FULL/6-311G**

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: MP2=FULL/6-311G**

States and conformations

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