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	hartrees
Energy at 0K	-132.443188
Energy at 298.15K	-132.445878
HF Energy	-131.826127
Nuclear repulsion energy	63.062575

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3379	3254
2	A'	3350	3226
3	A'	1728	1664
4	A'	1378	1327
5	A'	1068	1028
6	A'	885	852
7	A'	538	518
8	A"	3307	3184
9	A"	1152	1109
10	A"	979	943
11	A"	712	686
12	A"	535	515

Atom	x (Å)	y (Å)	z (Å)
N1	-0.036	0.903	0.000
C2	-0.036	-0.479	0.640
C3	-0.036	-0.479	-0.640
H4	0.937	1.217	0.000
H5	-0.122	-0.897	1.619
H6	-0.122	-0.897	-1.619

	N1	C2	C3	H4	H5	H6
N1		1.5234	1.5234	1.0226	2.4229	2.4229
C2	1.5234		1.2807	2.0574	1.0677	2.2993
C3	1.5234	1.2807		2.0574	2.2993	1.0677
H4	1.0226	2.0574	2.0574		2.8654	2.8654
H5	2.4229	1.0677	2.2993	2.8654		3.2379
H6	2.4229	2.2993	1.0677	2.8654	3.2379

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	65.143	N1	C2	H5	137.796
N1	C3	C2	65.143	N1	C3	H6	137.796
C2	N1	C3	49.714	C2	N1	H4	106.144
C2	C3	H6	156.434	C3	N1	H4	106.144
C3	C2	H5	156.434

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

using model chemistry: MP4=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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