%chk=000254719.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254719

0 1
O 6.154747 -3.203989 -1.513910
O 3.784752 0.205759 -2.590044
O 5.565848 -2.909503 0.629052
O 8.083849 0.818165 2.962261
O 9.286346 0.252663 1.161766
O -4.257161 -1.832312 1.922376
N 4.328893 -0.468644 -0.488244
N -1.541376 1.928544 0.622238
N -4.476597 0.808286 0.811986
N -6.539042 1.210390 -1.090979
N -7.198709 -1.064643 -0.842669
N -6.040085 -2.554533 0.681551
N -7.975527 -3.301376 -0.459380
C 5.644479 -0.965651 -0.915467
C 6.818763 -0.155584 -0.338415
C 6.850096 -0.108534 1.190046
C -2.343064 2.978200 -0.059006
C -3.725430 3.122750 0.600445
C 2.136552 0.543685 -0.876605
C -0.351847 1.463676 0.055388
C 3.437263 0.097799 -1.425374
C 5.757853 -2.425933 -0.461883
C -4.657484 2.008938 0.216973
C 1.576689 1.725409 -1.392042
C 1.427900 -0.192171 0.091350
C 0.350452 2.192901 -0.935133
C 0.200683 0.251478 0.555668
C 8.200178 0.309132 1.686431
C -5.302556 -0.208627 0.472884
C -5.699203 2.202378 -0.742849
C -6.342139 -0.008977 -0.482352
C -5.110430 -1.565605 1.121986
C -7.009657 -2.319860 -0.182315
H 5.697157 -0.925097 -2.051941
H 6.768132 0.877847 -0.746071
H 7.776492 -0.573774 -0.726558
H 6.068386 0.576247 1.588133
H 6.601774 -1.107324 1.633116
H 4.123207 -0.497677 0.506038
H -2.455072 2.761065 -1.146557
H -1.791809 3.945664 0.026615
H -3.613068 3.152172 1.711646
H -4.159620 4.107349 0.329986
H -2.086828 1.263040 1.183144
H 2.117809 2.277375 -2.166642
H 1.835718 -1.132174 0.469810
H -0.052459 3.115647 -1.338248
H -0.342996 -0.328268 1.299899
H -5.854712 3.172820 -1.233658
H -7.983934 -0.873843 -1.468521
H 6.249415 -4.167353 -1.276031
H 8.958260 1.089841 3.349736
H -8.341767 -3.365527 -1.399762
H -7.797219 -4.213142 -0.033269


%chk=000254719-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000254719

0 1
O 6.870606 -3.021105 -1.506124
O 4.440307 1.398163 -1.833194
O 4.755087 -3.309654 -0.596606
O 7.376113 -0.302165 3.467654
O 8.361691 0.897196 1.741898
O -3.241476 -1.598891 1.387640
N 4.198929 -0.635486 -0.759177
N -1.708303 2.055421 0.132196
N -4.214221 0.960514 0.547024
N -6.761945 1.031138 -0.707438
N -7.004639 -1.278206 -0.259518
N -5.295433 -2.590859 0.837910
N -7.314141 -3.574618 0.214872
C 5.562943 -1.029142 -1.119132
C 6.656218 -0.348253 -0.237091
C 6.494543 -0.665043 1.259021
C -2.418384 3.188961 -0.462351
C -3.825915 3.354864 0.173915
C 2.283377 0.918945 -0.812990
C -0.409146 1.702087 -0.203897
C 3.695055 0.595348 -1.173092
C 5.646694 -2.547438 -1.038523
C -4.705683 2.129989 0.029645
C 1.745309 2.137835 -1.302789
C 1.441620 0.091950 -0.012103
C 0.428373 2.529173 -1.015719
C 0.125555 0.467397 0.286996
C 7.505233 0.067690 2.116897
C -4.955134 -0.172858 0.434262
C -5.981070 2.143395 -0.603451
C -6.240354 -0.113295 -0.183745
C -4.411696 -1.491393 0.930618
C -6.497797 -2.469917 0.280948
H 5.764426 -0.715157 -2.162782
H 6.574998 0.738071 -0.408352
H 7.649930 -0.667135 -0.596832
H 5.482490 -0.381333 1.608013
H 6.595183 -1.747139 1.473135
H 3.600513 -1.360288 -0.355922
H -2.516371 3.072129 -1.566578
H -1.858853 4.130747 -0.289968
H -3.691143 3.566090 1.252621
H -4.320429 4.232190 -0.279178
H -2.310908 1.356604 0.598029
H 2.397378 2.767965 -1.917302
H 1.800775 -0.859292 0.399417
H 0.049950 3.474858 -1.416961
H -0.512194 -0.185746 0.895244
H -6.386925 3.064376 -1.033726
H -7.919086 -1.208478 -0.715131
H 6.893346 -4.013650 -1.432679
H 8.043931 0.203463 4.006264
H -8.254466 -3.562692 -0.171699
H -6.932960 -4.438227 0.596431


