%chk=000215613.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215613

0 1
O 3.336927 0.521713 -0.108883
O 2.798069 3.393743 -0.132100
N -2.850869 0.374533 0.096910
C -1.549470 -0.267259 -0.301498
C -0.377089 0.695497 -0.222745
C -1.264291 -1.457289 0.648503
C -0.563589 2.085579 -0.153243
C -3.016101 1.702774 -0.578443
C -1.944492 2.663829 -0.048816
C 0.924868 0.144397 -0.219056
C 0.006328 -2.128029 0.215427
C 1.072409 -1.325473 -0.260170
C -4.014617 -0.518825 -0.229648
C 2.030452 1.013558 -0.138883
C 0.537975 2.946024 -0.140809
C 1.836804 2.414277 -0.141448
C 0.135336 -3.519796 0.244512
C 2.218386 -1.950165 -0.770927
C -5.218298 -0.074566 0.557520
C 1.301514 -4.126360 -0.234630
C 2.333891 -3.343552 -0.755678
C -6.468643 -0.269937 0.145447
C 3.736473 0.057813 1.212728
C 4.179264 3.018916 -0.369668
H -1.593866 -0.651275 -1.359728
H -2.120754 -2.159713 0.660247
H -1.172698 -1.087589 1.693280
H -4.026672 2.097905 -0.333534
H -2.955366 1.635750 -1.686592
H -2.144064 2.885384 1.025255
H -2.016357 3.632892 -0.580690
H -3.763290 -1.563361 0.083384
H -4.234377 -0.566966 -1.318895
H 0.414022 4.027033 -0.119805
H -0.673661 -4.135327 0.631825
H 3.028419 -1.337920 -1.180660
H -4.985485 0.405995 1.512125
H 1.397023 -5.210518 -0.210133
H 3.230341 -3.815467 -1.152302
H -7.332097 0.025418 0.723647
H -6.733122 -0.737762 -0.790732
H 3.694246 0.883428 1.927362
H 4.763553 -0.278354 1.040165
H 3.096107 -0.771124 1.530540
H 4.594614 2.579535 0.540744
H 4.637143 3.987416 -0.600634
H 4.258001 2.320117 -1.209569


%chk=000215613-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215613

0 1
O 3.390537 0.357676 0.050109
O 2.987249 3.166728 0.276886
N -2.867308 0.290486 0.119509
C -1.564440 -0.363087 -0.187094
C -0.367527 0.589468 -0.056616
C -1.285311 -1.571856 0.740123
C -0.540614 1.984459 0.105406
C -2.966149 1.649180 -0.472059
C -1.936738 2.577812 0.181118
C 0.946337 0.008919 -0.086497
C -0.026460 -2.273397 0.262592
C 1.074627 -1.474925 -0.181651
C -4.030046 -0.547488 -0.284992
C 2.070153 0.877129 0.036605
C 0.593165 2.825315 0.190679
C 1.887580 2.284536 0.142748
C 0.059656 -3.682088 0.218962
C 2.227450 -2.132657 -0.694133
C -5.316179 -0.082508 0.366967
C 1.219711 -4.324388 -0.269701
C 2.299353 -3.541229 -0.736971
C -6.491986 0.109974 -0.280867
C 4.059935 0.456763 1.369528
C 3.894789 3.215979 -0.892161
H -1.568827 -0.748847 -1.244371
H -2.128830 -2.283416 0.745060
H -1.171697 -1.188255 1.774038
H -3.989212 2.024807 -0.295809
H -2.806658 1.623053 -1.581097
H -2.219847 2.727407 1.241510
H -1.956824 3.571311 -0.306049
H -3.835557 -1.587011 0.039255
H -4.156459 -0.577093 -1.396984
H 0.483959 3.910494 0.291406
H -0.793023 -4.279891 0.563740
H 3.066869 -1.532411 -1.048898
H -5.247935 0.079465 1.452770
H 1.273797 -5.418520 -0.299025
H 3.197006 -4.025319 -1.137929
H -7.399815 0.409985 0.254246
H -6.581377 -0.032962 -1.365513
H 4.117421 1.511370 1.693915
H 5.069334 0.043467 1.219883
H 3.513216 -0.145736 2.118641
H 4.318196 2.218188 -1.103541
H 4.690728 3.923948 -0.614282
H 3.350649 3.592069 -1.779757


