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	hartrees
Energy at 0K	-132.283794
Energy at 298.15K	-132.286440
HF Energy	-131.785757
Nuclear repulsion energy	62.793544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3400	3400
2	A'	3380	3380
3	A'	1742	1742
4	A'	1360	1360
5	A'	1086	1086
6	A'	888	888
7	A'	513	513
8	A"	3343	3343
9	A"	1167	1167
10	A"	980	980
11	A"	679	679
12	A"	530	530

Atom	x (Å)	y (Å)	z (Å)
N1	-0.032	0.903	0.000
C2	-0.032	-0.480	0.645
C3	-0.032	-0.480	-0.645
H4	0.939	1.236	0.000
H5	-0.162	-0.902	1.623
H6	-0.162	-0.902	-1.623

	N1	C2	C3	H4	H5	H6
N1		1.5263	1.5263	1.0262	2.4311	2.4311
C2	1.5263		1.2909	2.0742	1.0731	2.3114
C3	1.5263	1.2909		2.0742	2.3114	1.0731
H4	1.0262	2.0742	2.0742		2.9011	2.9011
H5	2.4311	1.0731	2.3114	2.9011		3.2469
H6	2.4311	2.3114	1.0731	2.9011	3.2469

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	64.983	N1	C2	H5	137.877
N1	C3	C2	64.983	N1	C3	H6	137.877
C2	N1	C3	50.033	C2	N1	H4	107.074
C2	C3	H6	155.707	C3	N1	H4	107.074
C3	C2	H5	155.707

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

using model chemistry: QCISD(T)=FULL/6-31+G**

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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