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	hartrees
Energy at 0K	-132.454130
Energy at 298.15K	-132.457186
HF Energy	-131.884825
Nuclear repulsion energy	63.823121

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3279	3113	0.40
2	A'	3179	3018	16.02
3	A'	1667	1583	5.55
4	A'	1528	1451	0.19
5	A'	1308	1242	8.79
6	A'	1058	1004	0.40
7	A'	1009	958	51.32
8	A'	688	653	9.37
9	A"	3265	3100	11.96
10	A"	1131	1074	1.52
11	A"	1001	950	0.61
12	A"	797	757	16.80

Atom	x (Å)	y (Å)	z (Å)
N1	-0.863	-0.174	0.000
C2	0.000	0.746	0.000
C3	0.657	-0.530	0.000
H4	0.036	1.819	0.000
H5	1.032	-0.949	0.918
H6	1.032	-0.949	-0.918

	N1	C2	C3	H4	H5	H6
N1		1.2615	1.5614	2.1864	2.2437	2.2437
C2	1.2615		1.4351	1.0735	2.1864	2.1864
C3	1.5614	1.4351		2.4294	1.0764	1.0764
H4	2.1864	1.0735	2.4294		3.0814	3.0814
H5	2.2437	2.1864	1.0764	3.0814		1.8357
H6	2.2437	2.1864	1.0764	3.0814	1.8357

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.425	N1	C2	H4	138.756
N1	C3	C2	49.575	N1	C3	H5	115.327
N1	C3	H6	115.327	C2	N1	C3	60.000
C2	C3	N1	49.575	C2	C3	H5	120.373
C2	C3	H6	120.373	C3	C2	H4	150.819
H5	C3	H6	117.016

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

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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