%chk=000214025.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214025

0 1
O -3.545968 1.785029 -0.755851
O 4.403407 -2.022177 -1.073466
N -2.215739 0.036117 -1.609228
N 0.695340 0.140851 -1.518993
C -1.429748 0.974505 -2.484594
C -1.470503 -0.193944 -0.330057
C -0.055716 0.353247 -2.800091
C -0.082419 -0.790207 -0.637411
C -3.605886 0.509282 -1.453131
C 2.070151 -0.392975 -1.792677
C 2.966076 -0.106896 -0.576660
C -4.538820 -0.486429 -0.735039
C 4.396736 -0.608767 -0.821359
C -4.358294 -0.717013 0.739453
C 5.303089 -0.265819 0.345880
C -4.595706 2.727555 -1.081773
C -4.467888 -2.026170 1.240364
C -4.133240 0.341103 1.632897
C -4.180159 4.011009 -0.383992
C 6.320816 0.682395 0.173552
C 5.134008 -0.881951 1.593786
C -4.357580 -2.266935 2.612146
C -4.021342 0.094946 3.002701
C -4.135586 -1.208178 3.497774
C 7.161266 1.011056 1.241323
C 5.978136 -0.553963 2.658278
C 6.992234 0.393378 2.484341
H -1.986291 1.133588 -3.431008
H -1.295526 1.969791 -2.002294
H -1.366341 0.742197 0.262643
H -2.037974 -0.919701 0.291267
H -0.191430 -0.584033 -3.382620
H 0.524106 1.059114 -3.432381
H 0.475582 -0.911249 0.316027
H -0.201522 -1.802534 -1.082289
H -4.022616 0.692770 -2.479896
H 2.088703 -1.480870 -2.025687
H 2.486199 0.123932 -2.684830
H 2.973543 0.982491 -0.365179
H 2.538579 -0.569326 0.333156
H -4.454683 -1.454432 -1.280475
H -5.586059 -0.144523 -0.891208
H 4.805433 -0.220311 -1.786300
H -5.552577 2.330673 -0.699534
H -4.648681 2.845620 -2.178436
H -4.637767 -2.858720 0.561332
H -4.023344 1.358438 1.243887
H 4.099391 -2.525241 -0.293819
H -3.170591 4.315609 -0.693643
H -4.141695 3.876921 0.705162
H -4.870016 4.831748 -0.604066
H 6.462794 1.164564 -0.792422
H 4.345206 -1.616949 1.739362
H -4.445088 -3.283434 2.991284
H -3.843838 0.922466 3.687341
H -4.051294 -1.396824 4.564979
H 7.950432 1.748368 1.102719
H 5.844730 -1.036604 3.625057
H 7.648370 0.648513 3.314201


%chk=000214025-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214025

0 1
O -3.737281 1.971071 -0.672052
O 4.505166 -1.898321 -1.233620
N -2.163872 0.314148 -1.467685
N 0.743967 0.340058 -1.427521
C -1.385724 1.184190 -2.387716
C -1.414248 0.097628 -0.202558
C -0.016772 0.551130 -2.684912
C -0.041283 -0.523878 -0.508717
C -3.564699 0.648559 -1.391559
C 2.109624 -0.183655 -1.691389
C 3.050095 -0.014181 -0.481621
C -4.500035 -0.448008 -0.804587
C 4.487564 -0.474189 -0.794550
C -4.397270 -0.841766 0.664345
C 5.502566 -0.262382 0.335999
C -4.980254 2.676659 -1.006878
C -4.266564 -2.210929 1.016545
C -4.495292 0.116078 1.710385
C -4.875640 4.096132 -0.443917
C 6.789348 -0.851564 0.202948
C 5.220646 0.492834 1.502304
C -4.230542 -2.617786 2.369924
C -4.456149 -0.287800 3.063126
C -4.325895 -1.655618 3.401021
C 7.767579 -0.688581 1.206333
C 6.199675 0.655627 2.510456
C 7.475671 0.067248 2.366998
H -1.950138 1.296895 -3.333150
H -1.234654 2.196001 -1.949828
H -1.268168 1.057199 0.341317
H -1.981758 -0.582601 0.449742
H -0.177082 -0.411259 -3.236000
H 0.564043 1.228492 -3.339364
H 0.509656 -0.641771 0.441538
H -0.193881 -1.543616 -0.948668
H -3.909589 0.821680 -2.437677
H 2.096386 -1.255334 -2.007960
H 2.527244 0.393378 -2.540713
H 3.048742 1.056868 -0.203692
H 2.673566 -0.579123 0.394682
H -4.356500 -1.344956 -1.435838
H -5.534878 -0.097395 -0.997910
H 4.840514 0.047073 -1.705840
H -5.860385 2.150984 -0.571991
H -5.113572 2.699477 -2.112784
H -4.191125 -2.963997 0.221953
H -4.567090 1.176918 1.453121
H 4.320130 -2.462363 -0.438219
H -4.010282 4.621405 -0.883451
H -4.739315 4.069180 0.651529
H -5.792058 4.673008 -0.667831
H 7.005998 -1.443755 -0.693063
H 4.238946 0.959052 1.634517
H -4.129385 -3.680846 2.617486
H -4.526492 0.465963 3.856163
H -4.299595 -1.966483 4.451627
H 8.754971 -1.148693 1.085398
H 5.964296 1.241799 3.406139
H 8.233477 0.195215 3.148168


