%chk=000183296.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183296

0 1
O -2.266529 -4.562416 -1.297194
N -3.324617 0.593096 0.399518
N 4.720758 0.061572 0.005590
N 1.103035 -0.290418 -1.051963
N 0.612873 1.891906 -0.234665
C -1.152032 0.217426 -0.262015
C -2.078056 1.203660 0.234205
C -1.870820 -1.019884 -0.420327
C -3.227491 -0.770669 -0.003237
C 0.196369 0.608545 -0.495629
C -1.650299 2.532848 0.478972
C 3.258026 -0.171609 0.226687
C 2.548990 0.018861 -1.133735
C -1.508505 -2.294942 -0.867102
C -4.205115 -1.773009 -0.025282
C -4.564774 1.230263 0.855173
C -0.302093 2.796754 0.220368
C 5.556251 -0.683895 1.004767
C 5.032618 1.531787 0.022829
C -2.554213 3.607502 0.976793
C -2.506607 -3.272427 -0.878106
C -3.838661 -3.038080 -0.466220
C 5.561507 -2.178007 0.676308
C 6.356121 1.789679 -0.698465
H 2.809485 0.507553 0.984582
H 3.094683 -1.206014 0.595510
H 3.002973 -0.642872 -1.904359
H 2.683438 1.068322 -1.492140
H 0.858828 -1.278830 -1.007323
H -0.499464 -2.504851 -1.200629
H -5.225400 -1.570710 0.291974
H -4.400276 1.769478 1.806357
H -4.939359 1.948866 0.103054
H -5.352577 0.476788 1.028836
H 0.110649 3.800993 0.387745
H 6.598077 -0.295154 0.939371
H 5.222831 -0.522067 2.052329
H 4.214691 2.071226 -0.509593
H 5.064726 1.953144 1.050351
H -2.024493 4.561697 1.108646
H -3.375205 3.798681 0.272192
H -2.987271 3.350272 1.953044
H -4.553402 -3.857280 -0.506664
H 4.582682 -2.639663 0.845200
H 5.816757 -2.342748 -0.379544
H 6.295738 -2.711774 1.287728
H 7.211636 1.386783 -0.145353
H 6.361168 1.310466 -1.687092
H 6.521374 2.862001 -0.842810
H -1.335526 -4.687452 -1.599280


%chk=000183296-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183296

0 1
O -2.695941 -4.643222 -1.347869
N -3.323922 0.665935 0.320995
N 4.744777 0.078413 0.143099
N 1.126497 -0.613355 -0.812710
N 0.748998 1.624458 -0.196857
C -1.158888 0.108358 -0.242765
C -2.015674 1.175475 0.208062
C -1.982906 -1.074507 -0.425851
C -3.318475 -0.692228 -0.060752
C 0.238208 0.374951 -0.412234
C -1.493529 2.484278 0.444178
C 3.367900 -0.436870 0.338582
C 2.564215 -0.359977 -0.986877
C -1.750294 -2.403597 -0.868330
C -4.399660 -1.596000 -0.112217
C -4.558344 1.338920 0.732250
C -0.107447 2.611870 0.202265
C 5.770828 -0.613531 0.964311
C 4.807497 1.563861 0.253436
C -2.277662 3.697072 0.910231
C -2.837145 -3.304947 -0.918442
C -4.148987 -2.913705 -0.542177
C 6.118586 -2.016155 0.429685
C 5.942466 2.178699 -0.587509
H 2.812381 0.134897 1.117771
H 3.416465 -1.488741 0.677580
H 2.975891 -1.086147 -1.710930
H 2.677817 0.649409 -1.414348
H 0.794319 -1.574037 -0.837724
H -0.759606 -2.745243 -1.194071
H -5.414173 -1.295673 0.167576
H -4.352013 2.371355 1.033607
H -5.290443 1.355199 -0.097815
H -5.016470 0.811755 1.590473
H 0.360545 3.593913 0.351188
H 6.687163 0.004921 0.945649
H 5.460510 -0.683764 2.038416
H 3.838477 1.968925 -0.092124
H 4.912140 1.881586 1.321804
H -1.600680 4.566246 0.987352
H -3.085474 3.979185 0.207403
H -2.731443 3.553331 1.910324
H -4.950596 -3.655132 -0.602246
H 5.238434 -2.685347 0.429713
H 6.489424 -1.943097 -0.607607
H 6.898587 -2.489386 1.055552
H 6.936229 1.809438 -0.273418
H 5.807055 1.921582 -1.652612
H 5.946555 3.280438 -0.485669
H -1.758691 -4.834412 -1.598945


