%chk=000203264.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203264

0 1
O -0.507048 -1.685622 2.574931
O 2.913671 1.135816 -2.285782
O 5.730428 -0.519479 0.280921
O 5.472388 0.667762 -1.619234
N -3.304828 -1.007003 0.487031
N -0.585550 -0.421369 0.638901
C -4.627004 -0.291912 0.441170
C -5.494116 -0.890917 -0.687107
C -4.349216 1.203908 0.174942
C -6.810073 -0.112513 -0.818919
C -5.665510 1.979288 0.040948
C -6.555423 1.382121 -1.057856
C -2.687234 -1.010358 1.839421
C -1.160803 -1.102565 1.735188
C 0.797714 -0.322353 0.338769
C 1.150641 0.358831 -0.842484
C 1.797823 -0.861776 1.177443
C 2.511249 0.489416 -1.158772
C 3.530947 -0.038335 -0.334528
C 3.133811 -0.716466 0.837548
C 4.947067 0.112564 -0.683576
C 7.164592 -0.456070 0.076485
H -5.182661 -0.392331 1.409469
H -5.707391 -1.957470 -0.490655
H -4.941830 -0.856370 -1.647250
H -3.748133 1.311271 -0.748847
H -3.733890 1.631665 0.986794
H -7.407818 -0.530347 -1.651309
H -7.422398 -0.248211 0.093490
H -6.207271 1.976419 1.006315
H -5.452093 3.041600 -0.183644
H -7.517503 1.926085 -1.101795
H -6.076998 1.526737 -2.045884
H -3.397571 -1.973510 0.153765
H -3.033855 -1.844526 2.493217
H -2.929110 -0.070743 2.391696
H -1.239663 -0.014731 -0.050470
H 0.395981 0.774832 -1.499014
H 1.517768 -1.395742 2.092502
H 3.912539 -1.134791 1.488030
H 2.152414 1.481940 -2.821916
H 7.490614 0.588807 0.086956
H 7.553452 -1.017035 0.931763
H 7.421593 -0.928820 -0.876854


%chk=000203264-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203264

0 1
O -0.867829 -1.296212 3.149835
O 2.305796 -0.137084 -2.720408
O 5.284318 0.365359 0.338335
O 4.906879 0.418019 -1.958489
N -3.525641 -1.573113 0.576215
N -0.909537 -1.136484 0.783498
C -4.466380 -0.426203 0.393100
C -5.176537 -0.555365 -0.973618
C -3.739392 0.935601 0.494154
C -6.173258 0.607368 -1.197416
C -4.734534 2.104061 0.291864
C -5.475411 1.982094 -1.061148
C -2.958670 -1.747148 1.935831
C -1.462411 -1.357532 2.033819
C 0.414335 -0.796959 0.437326
C 0.715794 -0.632400 -0.938282
C 1.442729 -0.617879 1.404948
C 2.021205 -0.295157 -1.361637
C 3.067260 -0.111409 -0.404890
C 2.732408 -0.282660 0.968231
C 4.454193 0.240351 -0.803207
C 6.690344 0.709156 0.045280
H -5.252839 -0.447066 1.189050
H -5.707947 -1.528011 -1.034381
H -4.408393 -0.551367 -1.773785
H -2.952510 0.976997 -0.286368
H -3.230742 1.034914 1.472265
H -6.642232 0.511760 -2.195238
H -6.991440 0.536069 -0.451568
H -5.475522 2.103133 1.117954
H -4.194994 3.068194 0.349658
H -6.217510 2.796559 -1.165993
H -4.745235 2.104566 -1.887522
H -3.946047 -2.441688 0.220794
H -3.027141 -2.804125 2.256775
H -3.500649 -1.153214 2.698225
H -1.645798 -1.228516 0.052063
H -0.075757 -0.773660 -1.687527
H 1.211874 -0.743658 2.463779
H 3.531019 -0.142629 1.700458
H 1.492164 -0.299259 -3.263071
H 6.750364 1.673142 -0.488512
H 7.175729 0.771228 1.030034
H 7.157648 -0.072079 -0.578633


