%chk=000253436.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253436

0 1
S 0.651309 0.896577 1.942901
S -1.348596 0.442508 2.008065
F 0.929700 0.956775 -0.790507
F 2.036761 -0.756376 -1.249023
F -1.994281 -0.410261 -1.652390
F -1.281098 -1.453447 0.019474
F 3.070896 1.984267 0.755654
F 4.220398 0.269781 0.346725
F -4.609280 -0.367116 -0.560677
F -3.808659 -2.272631 -0.944463
F 4.060502 0.798270 -2.459353
F 4.868308 2.402774 -1.340990
F 2.887397 2.522602 -2.075675
F -5.229011 -2.095473 1.499198
F -3.206777 -2.636703 1.801281
F -3.857196 -0.666015 2.241586
N 1.565895 -1.476119 1.728158
N -2.459950 1.833843 -0.115466
N 2.189229 -2.591634 1.499882
N -2.455667 3.032340 0.372173
C 1.903667 0.171788 -0.273531
C -2.226462 -0.548641 -0.326357
C 3.228591 1.023466 -0.180870
C -3.644678 -1.208208 -0.126464
C 1.479860 -0.361941 1.052090
C -2.044441 0.720184 0.450870
C 3.751339 1.679387 -1.499922
C -3.976400 -1.645158 1.337582
C 1.871004 -3.670463 2.479523
C 2.879678 -3.035850 0.266746
C -2.917584 4.087312 -0.571100
C -1.885096 3.500028 1.655998
H 1.302681 -3.272851 3.344470
H 2.810206 -4.102708 2.863849
H 1.260019 -4.462329 2.014010
H 3.660443 -2.316962 -0.031962
H 2.176480 -3.178051 -0.573915
H 3.390162 -3.999305 0.434587
H -3.295351 3.648756 -1.516398
H -2.089465 4.771156 -0.826101
H -3.742056 4.660138 -0.112755
H -2.310727 2.933612 2.507414
H -2.113348 4.564476 1.822116
H -0.784499 3.382801 1.680565


%chk=000253436-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253436

0 1
S 0.783298 0.930252 2.374623
S -1.587772 0.488732 2.303024
F 0.787086 0.969860 -0.552942
F 1.789926 -1.024975 -1.005329
F -1.940759 0.126412 -1.685041
F -1.299315 -1.305447 -0.023421
F 3.086710 2.152635 0.167673
F 4.210594 0.173727 0.357266
F -4.599528 -0.081196 -0.958349
F -3.542825 -2.049112 -1.448067
F 4.124198 -0.284268 -2.316202
F 4.733234 1.861656 -1.931547
F 2.648773 1.404464 -2.692959
F -5.462137 -2.293868 0.491525
F -3.398062 -2.627767 1.358448
F -4.517582 -0.696357 1.788778
N 1.831079 -1.485664 1.960449
N -2.598929 2.009030 0.087752
N 2.461369 -2.603230 1.617959
N -2.598942 3.233280 0.597183
C 1.815274 0.094251 -0.091108
C -2.248536 -0.286037 -0.352738
C 3.173646 0.846734 -0.357818
C -3.641560 -1.013015 -0.483349
C 1.574743 -0.335173 1.343910
C -2.164151 0.875898 0.631119
C 3.664076 0.955619 -1.845679
C -4.247414 -1.664437 0.806455
C 2.403795 -3.669015 2.645486
C 3.200697 -2.929148 0.371059
C -3.197274 4.272913 -0.265090
C -2.018964 3.658158 1.897017
H 1.816240 -3.291433 3.492637
H 3.422713 -3.934249 2.982861
H 1.917455 -4.570660 2.230077
H 3.881546 -2.109764 0.095244
H 2.509252 -3.121903 -0.466057
H 3.798605 -3.833160 0.566933
H -3.568405 3.785663 -1.176950
H -2.440370 5.033299 -0.533047
H -4.034677 4.771322 0.257249
H -2.595420 3.251195 2.745045
H -2.042019 4.759225 1.928536
H -0.975764 3.310151 1.984384


