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	hartrees
Energy at 0K	-132.321581
Energy at 298.15K	-132.324575
HF Energy	-131.844566
Nuclear repulsion energy	62.756176

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3232	3125
2	A'	3124	3020
3	A'	1638	1584
4	A'	1492	1443
5	A'	1294	1251
6	A'	1022	988
7	A'	981	948
8	A'	646	625
9	A"	3225	3118
10	A"	1096	1060
11	A"	968	936
12	A"	758	733

Atom	x (Å)	y (Å)	z (Å)
N1	-0.878	-0.175	0.000
C2	0.000	0.758	0.000
C3	0.667	-0.539	0.000
H4	0.038	1.853	0.000
H5	1.052	-0.970	0.934
H6	1.052	-0.970	-0.934

	N1	C2	C3	H4	H5	H6
N1		1.2809	1.5870	2.2250	2.2867	2.2867
C2	1.2809		1.4583	1.0956	2.2283	2.2283
C3	1.5870	1.4583		2.4731	1.0986	1.0986
H4	2.2250	1.0956	2.4731		3.1418	3.1418
H5	2.2867	2.2283	1.0986	3.1418		1.8683
H6	2.2867	2.2283	1.0986	3.1418	1.8683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.474	N1	C2	H4	138.722
N1	C3	C2	49.526	N1	C3	H5	115.540
N1	C3	H6	115.540	C2	N1	C3	60.000
C2	C3	N1	49.526	C2	C3	H5	120.625
C2	C3	H6	120.625	C3	C2	H4	150.804
H5	C3	H6	116.494

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

using model chemistry: MP4/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: MP4/cc-pVDZ

States and conformations

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