%chk=000239626.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239626

0 1
O -3.988620 1.388443 -1.897495
O -6.660659 -1.418615 0.618816
O 8.002044 0.807311 -0.961772
O 7.313602 1.162678 1.058479
N -1.704993 0.713892 0.074399
N -4.478376 -1.198633 1.312618
N -5.322387 -0.016841 -0.650277
N -2.064860 -0.763259 1.814871
N 0.165193 0.282196 1.677990
N 1.159745 0.146618 0.733590
N 7.139351 0.822629 -0.100198
C -3.043008 0.286393 0.000516
C -3.237315 -0.608676 1.093251
C -4.075695 0.637866 -0.945078
C -1.147223 0.055599 1.161543
C -5.571160 -0.912041 0.432867
C -1.056505 1.620469 -0.874304
C -4.674584 -2.124935 2.454130
C -6.477848 0.238350 -1.555376
C 3.463442 0.007174 0.102010
C 2.398746 0.021234 1.125594
C 4.755104 0.411498 0.471452
C 3.214387 -0.408761 -1.219525
C 5.774054 0.394304 -0.489616
C 4.244448 -0.419829 -2.164059
C 5.533526 -0.018287 -1.808566
H -0.271372 1.094785 -1.450696
H -1.803467 2.029279 -1.591378
H -0.579691 2.463990 -0.339866
H -5.718332 -2.494495 2.469104
H -4.464999 -1.606750 3.406886
H -3.990385 -2.987832 2.367977
H -6.298736 1.158361 -2.143178
H -7.407151 0.359537 -0.970367
H -6.612953 -0.605702 -2.252858
H 0.294220 -0.141531 2.618181
H 2.746398 -0.067248 2.166761
H 4.979085 0.743460 1.491693
H 2.206731 -0.724576 -1.505722
H 4.041228 -0.744624 -3.186296
H 6.350717 -0.021828 -2.538502


%chk=000239626-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239626

0 1
O -4.087993 0.768208 -2.264760
O -6.912908 -0.811221 1.166398
O 8.321287 0.624189 -0.448029
O 7.436850 -0.193456 1.488040
N -1.719420 0.064914 -0.332550
N -4.601358 -0.871194 1.568260
N -5.480360 -0.032395 -0.518482
N -2.141530 -0.827263 1.747868
N 0.145752 -0.487930 1.209217
N 1.165016 -0.100719 0.381423
N 7.322406 0.274745 0.290014
C -3.124203 -0.061519 -0.196133
C -3.332933 -0.606406 1.081368
C -4.193436 0.270038 -1.097345
C -1.192994 -0.408142 0.857009
C -5.735291 -0.586826 0.766127
C -1.036761 0.598338 -1.530579
C -4.783949 -1.446783 2.914497
C -6.684254 0.257540 -1.331709
C 3.543216 0.176052 -0.002787
C 2.402850 -0.217260 0.829103
C 4.855061 0.042985 0.521315
C 3.379405 0.689519 -1.324901
C 5.954217 0.420546 -0.274034
C 4.496725 1.058750 -2.097742
C 5.806229 0.929629 -1.581604
H -0.371277 -0.164942 -1.964151
H -1.819790 0.873318 -2.254253
H -0.435629 1.482809 -1.266887
H -5.864673 -1.561495 3.081698
H -4.349706 -0.776477 3.675092
H -4.282638 -2.427104 2.978983
H -6.339550 0.678095 -2.287463
H -7.332939 0.975413 -0.803729
H -7.258701 -0.667972 -1.499783
H 0.313199 -0.865810 2.153907
H 2.625585 -0.611419 1.839125
H 5.035672 -0.345744 1.528470
H 2.366159 0.789623 -1.725388
H 4.352834 1.450536 -3.109670
H 6.691534 1.208431 -2.158337


