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	hartrees
Energy at 0K	-132.249115
Energy at 298.15K	-132.251901
HF Energy	-131.781727
Nuclear repulsion energy	63.256883

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3461	3461	2.46
2	A'	3443	3443	31.29
3	A'	1828	1828	4.38
4	A'	1419	1419	16.03
5	A'	1138	1138	3.45
6	A'	932	932	18.36
7	A'	553	553	72.53
8	A"	3401	3401	9.84
9	A"	1209	1209	39.38
10	A"	1019	1019	14.51
11	A"	734	734	5.16
12	A"	626	626	3.15

Atom	x (Å)	y (Å)	z (Å)
N1	-0.035	0.897	0.000
C2	-0.035	-0.476	0.639
C3	-0.035	-0.476	-0.639
H4	0.933	1.226	0.000
H5	-0.133	-0.899	1.616
H6	-0.133	-0.899	-1.616

	N1	C2	C3	H4	H5	H6
N1		1.5144	1.5144	1.0223	2.4182	2.4182
C2	1.5144		1.2788	2.0598	1.0688	2.2967
C3	1.5144	1.2788		2.0598	2.2967	1.0688
H4	1.0223	2.0598	2.0598		2.8751	2.8751
H5	2.4182	1.0688	2.2967	2.8751		3.2314
H6	2.4182	2.2967	1.0688	2.8751	3.2314

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	65.025	N1	C2	H5	138.169
N1	C3	C2	65.025	N1	C3	H6	138.169
C2	N1	C3	49.950	C2	N1	H4	106.977
C2	C3	H6	155.982	C3	N1	H4	106.977
C3	C2	H5	155.982

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

using model chemistry: MP3=FULL/6-31G**

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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