%chk=000187297.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187297

0 1
O 1.787605 -0.330092 -0.186867
O 2.474433 1.866415 0.111041
O 5.737627 0.423451 0.856330
O 4.054785 -1.173870 2.639235
O 4.300286 -0.342514 -2.011983
O 0.159972 -1.944136 1.833618
O -4.155493 -0.079461 -0.925579
O -1.574740 1.941781 1.857051
N 0.405882 2.693095 0.968762
N -0.821189 0.930745 -0.110228
N -3.259587 0.863490 -0.437852
C 4.621604 -0.358367 0.417702
C 3.559198 -0.422595 1.537238
C 4.087504 0.397693 -0.817194
C 2.237540 -1.013812 1.012177
C 2.576313 0.730610 -0.728200
C 1.131658 -0.928553 2.077131
C 1.372675 2.792956 -0.113995
C -4.293378 -2.363118 -1.817241
C -3.446095 -1.239224 -1.271685
C -5.296790 -2.774902 -0.727532
C -5.031799 -1.848157 -3.063650
C -3.389857 -3.549884 -2.185689
C -0.741222 1.858192 0.980744
C -2.115316 -1.052133 -1.003805
C 0.754708 3.375422 2.242505
C -2.031415 0.300308 -0.465676
H 5.001140 -1.367057 0.138368
H 3.406187 0.598853 1.979369
H 4.693324 1.331134 -0.978455
H 2.347471 -2.069815 0.667470
H 2.104991 0.879300 -1.726324
H 0.666328 0.068389 2.128553
H 1.537829 -1.195655 3.078515
H 5.978486 0.178287 1.782830
H 4.152722 -2.126172 2.418161
H 3.825228 -1.203696 -1.989962
H 0.909662 2.620081 -1.106220
H 1.901956 3.773805 -0.074326
H -0.503063 -1.637214 1.174560
H -5.961197 -3.571682 -1.078359
H -4.791752 -3.140670 0.174169
H -5.928842 -1.929545 -0.423558
H -4.335418 -1.547115 -3.854299
H -5.691505 -2.616620 -3.480699
H -5.654072 -0.974206 -2.828105
H -3.981500 -4.380517 -2.588564
H -2.650837 -3.278057 -2.947572
H -2.846330 -3.933108 -1.314330
H -1.296802 -1.722547 -1.158878
H -0.023428 3.189443 3.009869
H 1.722937 3.017964 2.629185
H 0.804741 4.465957 2.085334
H 0.039137 0.432121 -0.399593


%chk=000187297-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187297

0 1
O 1.698791 -0.317361 -0.178058
O 2.492465 1.956756 0.178554
O 5.876138 0.052315 0.375868
O 4.328783 -1.360564 2.372453
O 3.926606 -0.293529 -2.341945
O 0.058820 -1.530283 2.065394
O -3.999017 0.018055 -1.293638
O -1.818019 2.033735 1.948717
N 0.339155 2.627086 1.238147
N -0.826364 0.890505 0.127631
N -3.081635 1.019646 -0.731091
C 4.550410 -0.477988 0.079735
C 3.686452 -0.502775 1.355180
C 3.927332 0.390273 -1.042596
C 2.247684 -0.980897 1.058747
C 2.483005 0.826492 -0.715566
C 1.305450 -0.780984 2.253373
C 1.253551 2.817422 0.139532
C -4.173626 -2.393839 -1.862534
C -3.368614 -1.238328 -1.304231
C -5.474431 -2.563598 -1.021564
C -4.548882 -2.085926 -3.343490
C -3.326145 -3.689222 -1.791342
C -0.857839 1.870881 1.148752
C -2.102713 -1.104335 -0.761422
C 0.555318 3.438998 2.455167
C -1.977037 0.292037 -0.419049
H 4.624397 -1.526849 -0.298797
H 3.684885 0.497999 1.816292
H 4.556497 1.280302 -1.187534
H 2.253005 -2.061492 0.803671
H 1.953312 1.061635 -1.660052
H 1.127997 0.298560 2.418751
H 1.803733 -1.198347 3.147411
H 6.188341 -0.372247 1.218770
H 4.301812 -2.306261 2.067616
H 3.317045 -1.075605 -2.287137
H 0.737181 2.649406 -0.823207
H 1.666230 3.837960 0.189943
H -0.689215 -0.909663 1.879075
H -6.079803 -3.391190 -1.434579
H -5.238026 -2.797897 0.032044
H -6.079921 -1.641419 -1.041981
H -3.644180 -1.965654 -3.966950
H -5.146987 -2.918576 -3.756866
H -5.142555 -1.158381 -3.414851
H -3.908333 -4.534752 -2.199529
H -2.398286 -3.597327 -2.385429
H -3.052498 -3.935517 -0.749217
H -1.358409 -1.879658 -0.601412
H -0.216618 3.173602 3.192352
H 1.558527 3.241870 2.872992
H 0.461172 4.518520 2.232819
H 0.077365 0.411405 -0.071417


