%chk=000243375.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243375

0 1
O 2.865997 2.265230 0.977340
O -2.864389 2.262762 -0.981492
N 1.477266 1.144824 -0.448216
N -1.478026 1.145282 0.448621
N 5.097690 -2.266703 0.490311
N -5.098051 -2.267445 -0.488225
C 0.527679 2.273154 -0.562771
C -0.528418 2.273735 0.561937
C 2.610358 1.247685 0.359511
C -2.609922 1.246527 -0.361001
C 3.467113 0.010637 0.387870
C -3.466985 0.009674 -0.387968
C 4.045407 -0.489730 -0.783020
C -4.044400 -0.490185 0.783581
C 3.711266 -0.621488 1.611154
C -3.712336 -0.622838 -1.610821
C 4.858418 -1.632500 -0.686115
C -4.857672 -1.632859 0.687771
C 4.533425 -1.761766 1.617369
C -4.534680 -1.762989 -1.615942
H 1.097084 3.235679 -0.515556
H 0.034195 2.233797 -1.560069
H -0.034989 2.235439 1.559287
H -1.097845 3.236189 0.513647
H 1.217504 0.275377 -0.898461
H -1.218777 0.276660 0.900750
H 3.887955 -0.002266 -1.743244
H -3.886140 -0.002387 1.743500
H 3.291834 -0.230410 2.537462
H -3.293645 -0.232101 -2.537626
H 5.340314 -2.063674 -1.572526
H -5.338891 -2.063637 1.574742
H 4.757849 -2.295435 2.549544
H -4.759991 -2.296938 -2.547744


%chk=000243375-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243375

0 1
O 2.460374 2.004786 1.510078
O -2.459050 2.002816 -1.512102
N 1.447130 1.285837 -0.449225
N -1.449278 1.287852 0.450400
N 5.028678 -2.318080 0.578188
N -5.027049 -2.319662 -0.578125
C 0.563676 2.460083 -0.531851
C -0.564764 2.461405 0.531272
C 2.371865 1.150823 0.569325
C -2.373894 1.152049 -0.568152
C 3.272499 -0.062755 0.519213
C -3.273256 -0.062492 -0.518355
C 3.496767 -0.845895 -0.641978
C -3.499266 -0.844305 0.643395
C 3.960777 -0.423421 1.703807
C -3.958559 -0.425478 -1.703966
C 4.374177 -1.951638 -0.563261
C -4.375435 -1.951002 0.564261
C 4.813966 -1.547349 1.688461
C -4.810680 -1.550219 -1.688968
H 1.168844 3.371673 -0.376508
H 0.115555 2.494260 -1.537965
H -0.116628 2.496712 1.537337
H -1.169128 3.373284 0.374496
H 1.339347 0.543949 -1.140600
H -1.342150 0.546901 1.142877
H 3.040605 -0.603209 -1.608438
H -3.045481 -0.599875 1.610532
H 3.824964 0.182673 2.604376
H -3.821403 0.179542 -2.605054
H 4.571763 -2.570981 -1.445320
H -4.574334 -2.569349 1.446723
H 5.354726 -1.853503 2.590550
H -5.349159 -1.858132 -2.591823


