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	hartrees
Energy at 0K	-132.354438
Energy at 298.15K	-132.357418
HF Energy	-131.851946
Nuclear repulsion energy	62.694812

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3231	3151
2	A'	3120	3042
3	A'	1617	1577
4	A'	1487	1450
5	A'	1272	1241
6	A'	1022	997
7	A'	978	954
8	A'	629	613
9	A"	3222	3142
10	A"	1086	1059
11	A"	962	938
12	A"	748	729

Atom	x (Å)	y (Å)	z (Å)
N1	-0.879	-0.175	0.000
C2	0.000	0.759	0.000
C3	0.670	-0.540	0.000
H4	0.036	1.851	0.000
H5	1.049	-0.970	0.933
H6	1.049	-0.970	-0.933

	N1	C2	C3	H4	H5	H6
N1		1.2823	1.5918	2.2225	2.2855	2.2855
C2	1.2823		1.4618	1.0925	2.2275	2.2275
C3	1.5918	1.4618		2.4737	1.0953	1.0953
H4	2.2225	1.0925	2.4737		3.1393	3.1393
H5	2.2855	2.2275	1.0953	3.1393		1.8666
H6	2.2855	2.2275	1.0953	3.1393	1.8666

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.565	N1	C2	H4	138.606
N1	C3	C2	49.435	N1	C3	H5	115.301
N1	C3	H6	115.301	C2	N1	C3	60.000
C2	C3	N1	49.435	C2	C3	H5	120.497
C2	C3	H6	120.497	C3	C2	H4	150.829
H5	C3	H6	116.876

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

using model chemistry: MP4=FULL/aug-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=FULL/aug-cc-pVDZ

States and conformations

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