%chk=000217944.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217944

0 1
O 0.386266 -0.271103 -2.008469
N -3.266121 -0.510163 0.091893
C -2.007296 0.086162 -0.465055
C -3.725914 -1.667002 -0.746338
C -4.340905 0.532031 0.201397
C -0.810243 -0.734175 0.045246
C -4.970372 -2.311193 -0.112852
C -5.596568 -0.077865 0.847283
C -6.099504 -1.285433 0.046611
C 0.516805 -0.234049 -0.560896
C 0.788593 1.224105 -0.225482
C 1.711783 -1.102021 -0.181008
C 1.093994 1.590416 1.094039
C 2.820766 -1.124042 -1.042991
C 0.731209 2.209370 -1.219118
C 1.751268 -1.849284 1.000978
C 1.331945 2.926586 1.415055
C 3.941378 -1.893244 -0.736938
C 0.970971 3.547851 -0.899794
C 2.874354 -2.621062 1.313196
C 1.271530 3.916786 0.419525
C 3.976377 -2.651028 0.446805
C 1.533358 5.344936 0.774303
C 5.183391 -3.469726 0.771235
H -1.902321 1.135948 -0.110715
H -1.988088 0.132861 -1.576095
H -2.899562 -2.409560 -0.780416
H -3.944504 -1.375492 -1.796328
H -4.602042 0.984763 -0.779006
H -3.953649 1.349667 0.847831
H -0.779452 -0.677085 1.152048
H -0.953557 -1.806526 -0.188447
H -4.702703 -2.725645 0.879829
H -5.304477 -3.163722 -0.730354
H -6.385150 0.691465 0.926340
H -5.357736 -0.392782 1.883094
H -6.462552 -0.960311 -0.946400
H -6.965285 -1.746894 0.555728
H 0.232146 -1.187702 -2.308578
H 1.152590 0.829717 1.871795
H 2.794611 -0.526191 -1.957782
H 0.500625 1.922336 -2.248562
H 0.908555 -1.837810 1.692270
H 1.568457 3.201994 2.440245
H 4.793536 -1.902561 -1.413079
H 0.925360 4.302874 -1.681203
H 2.889490 -3.198024 2.235186
H 2.574680 5.485440 1.098618
H 1.362896 6.029221 -0.066529
H 0.887547 5.679200 1.598184
H 5.436178 -4.155662 -0.049604
H 6.060828 -2.828347 0.940411
H 5.053312 -4.081427 1.673094


%chk=000217944-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217944

0 1
O 0.441424 -0.345058 -2.135690
N -3.287393 -0.463635 0.082552
C -2.017075 0.062219 -0.485222
C -3.777740 -1.669563 -0.634189
C -4.341728 0.582578 0.142584
C -0.798625 -0.765862 -0.030217
C -5.019454 -2.266400 0.058985
C -5.604666 0.062232 0.859493
C -6.142511 -1.210615 0.166857
C 0.546026 -0.282562 -0.647308
C 0.796023 1.198233 -0.307260
C 1.747231 -1.152142 -0.217880
C 1.123426 1.566383 1.022335
C 2.993657 -0.940837 -0.868238
C 0.674421 2.215557 -1.280868
C 1.677682 -2.152199 0.780452
C 1.318622 2.918695 1.367940
C 4.125317 -1.706376 -0.532267
C 0.876701 3.570741 -0.929532
C 2.818745 -2.919421 1.116792
C 1.199564 3.948712 0.396824
C 4.060187 -2.712738 0.470225
C 1.425612 5.403297 0.774029
C 5.288726 -3.528120 0.835207
H -1.890846 1.100059 -0.126724
H -2.044607 0.107748 -1.601280
H -2.968875 -2.422448 -0.664737
H -4.037436 -1.420491 -1.699299
H -4.625537 0.932738 -0.886676
H -3.931096 1.455080 0.684266
H -0.747952 -0.710425 1.072987
H -0.940974 -1.832566 -0.295797
H -4.732404 -2.607544 1.072451
H -5.367732 -3.151245 -0.508567
H -6.375069 0.857445 0.871578
H -5.344443 -0.171468 1.910187
H -6.501230 -0.951361 -0.851153
H -7.009173 -1.618700 0.720972
H 0.445974 -1.302450 -2.391132
H 1.241712 0.789636 1.787774
H 3.058736 -0.165210 -1.639125
H 0.427821 1.935893 -2.308410
H 0.737761 -2.347232 1.306329
H 1.573973 3.180836 2.402580
H 5.076302 -1.523609 -1.048537
H 0.779580 4.345984 -1.699886
H 2.739643 -3.689728 1.893818
H 2.476020 5.582256 1.073918
H 1.199562 6.078876 -0.069076
H 0.789483 5.703170 1.627864
H 5.726558 -4.018468 -0.054385
H 6.078474 -2.888560 1.273653
H 5.048396 -4.314734 1.571001


