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	hartrees
Energy at 0K	-132.462549
Energy at 298.15K	-132.465242
HF Energy	-131.828848
Nuclear repulsion energy	63.070120

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3368	3264
2	A'	3359	3256
3	A'	1724	1671
4	A'	1361	1319
5	A'	1060	1027
6	A'	882	855
7	A'	545	528
8	A"	3280	3180
9	A"	1149	1114
10	A"	973	943
11	A"	733	711
12	A"	527	511

Atom	x (Å)	y (Å)	z (Å)
N1	-0.037	0.902	0.000
C2	-0.037	-0.478	0.641
C3	-0.037	-0.478	-0.641
H4	0.933	1.227	0.000
H5	-0.119	-0.901	1.618
H6	-0.119	-0.901	-1.618

	N1	C2	C3	H4	H5	H6
N1		1.5222	1.5222	1.0221	2.4242	2.4242
C2	1.5222		1.2811	2.0636	1.0678	2.2989
C3	1.5222	1.2811		2.0636	2.2989	1.0678
H4	1.0221	2.0636	2.0636		2.8725	2.8725
H5	2.4242	1.0678	2.2989	2.8725		3.2353
H6	2.4242	2.2989	1.0678	2.8725	3.2353

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	65.116	N1	C2	H5	138.087
N1	C3	C2	65.116	N1	C3	H6	138.087
C2	N1	C3	49.769	C2	N1	H4	106.741
C2	C3	H6	156.216	C3	N1	H4	106.741
C3	C2	H5	156.216

All results from a given calculation for CHNHCH (1H-Azirine)

using model chemistry: MP4=FULL/aug-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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