%chk=000211954.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211954

0 1
O -0.609545 1.853187 -2.584789
O 0.201093 -2.120043 -1.277699
O -4.649266 1.335385 -0.357521
O -4.122619 -2.960193 1.463528
O -5.475461 -0.869321 1.279499
N 3.294200 1.240244 -0.136050
N 1.510750 1.036366 -2.410505
C 2.736741 -0.089566 -0.549584
C 2.311406 2.335997 -0.431890
C 2.436574 -0.074538 -2.062026
C 2.016445 2.360052 -1.945511
C 3.645306 1.242080 1.324312
C 0.135499 0.878743 -2.586564
C 4.790713 0.294617 1.594400
C -0.400187 -0.505132 -2.900319
C 5.959014 0.357324 0.819351
C 4.700561 -0.632545 2.642529
C -0.639798 -1.323485 -1.640644
C -1.925498 -1.127584 -0.912215
C 7.027218 -0.499199 1.093925
C 5.774649 -1.485226 2.915176
C 6.938398 -1.420461 2.143374
C -2.364678 -2.171292 -0.080851
C -2.663240 0.050596 -1.031334
C -3.859116 0.201040 -0.314626
C -3.560163 -2.028671 0.622381
C -4.335301 -0.835181 0.519679
C -4.198152 2.430410 -1.196644
C -3.401943 -4.204789 1.646324
C -6.336762 0.299185 1.246886
H 3.507552 -0.866173 -0.338999
H 1.826804 -0.385292 0.016661
H 1.361835 2.239633 0.137639
H 2.772004 3.303958 -0.137337
H 3.379451 0.081590 -2.636794
H 2.019951 -1.060249 -2.368270
H 1.268473 3.152517 -2.180914
H 2.944184 2.588559 -2.517501
H 3.973154 2.274079 1.595909
H 2.775432 1.008610 1.977997
H 0.285486 -1.059021 -3.577867
H -1.345356 -0.392879 -3.478955
H 6.018348 1.070714 -0.003659
H 3.797782 -0.693839 3.246402
H 7.931413 -0.449170 0.489801
H 5.702048 -2.202555 3.730740
H 7.772507 -2.085053 2.357145
H -1.757503 -3.072172 0.007209
H -2.306032 0.866862 -1.669306
H -3.212288 2.782867 -0.875502
H -4.191327 2.124603 -2.247227
H -4.970937 3.184774 -1.006815
H -3.325501 -4.745414 0.698890
H -2.421201 -4.017926 2.092815
H -4.060140 -4.733351 2.349113
H -5.798810 1.174520 1.625137
H -6.702252 0.470175 0.229170
H -7.143513 -0.006166 1.923026


%chk=000211954-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211954

0 1
O -0.686654 1.996975 -2.423371
O -0.129340 -2.337315 -1.404221
O -4.878625 1.469811 -0.666316
O -4.333905 -2.715451 1.612585
O -5.739149 -0.530526 1.192601
N 3.368489 1.103081 0.207334
N 1.345371 1.025338 -1.835923
C 2.784622 -0.190681 -0.224902
C 2.370144 2.193404 0.095154
C 2.291717 -0.104451 -1.683004
C 1.883984 2.320376 -1.360842
C 3.993001 1.029973 1.550230
C 0.064691 0.964986 -2.352020
C 5.259148 0.178191 1.572701
C -0.450760 -0.404034 -2.846738
C 6.201289 0.263633 0.516044
C 5.535953 -0.674927 2.668619
C -0.882672 -1.356917 -1.708909
C -2.165494 -1.105407 -1.003764
C 7.397768 -0.484794 0.558905
C 6.735455 -1.423037 2.716651
C 7.671217 -1.329411 1.661398
C -2.603105 -2.048930 -0.036565
C -2.932967 0.059065 -1.255822
C -4.122272 0.291915 -0.535588
C -3.807522 -1.838885 0.658763
C -4.599065 -0.665751 0.412699
C -4.366762 2.494512 -1.589463
C -3.545391 -3.912738 1.916864
C -6.969511 0.053971 0.617023
H 3.559689 -0.973774 -0.154219
H 1.929294 -0.494980 0.429573
H 1.485212 2.020055 0.758609
H 2.843888 3.144933 0.401012
H 3.163054 0.069209 -2.346203
H 1.810057 -1.056128 -1.951299
H 1.084344 3.072316 -1.453013
H 2.737387 2.611483 -2.004677
H 4.250257 2.068613 1.842132
H 3.279686 0.650013 2.325183
H 0.315833 -0.930184 -3.438185
H -1.304931 -0.179487 -3.504876
H 5.972182 0.911785 -0.337344
H 4.809289 -0.757208 3.486994
H 8.117830 -0.410627 -0.264354
H 6.935257 -2.080209 3.570691
H 8.599845 -1.910401 1.694715
H -1.979519 -2.931269 0.130195
H -2.563953 0.812696 -1.956537
H -3.340369 2.804443 -1.319748
H -4.374679 2.130194 -2.634352
H -5.060826 3.341059 -1.482756
H -3.427149 -4.556568 1.023634
H -2.546822 -3.646578 2.314188
H -4.124036 -4.444509 2.686086
H -6.851569 1.133611 0.441114
H -7.228829 -0.452741 -0.330953
H -7.741670 -0.145521 1.375368


