%chk=000244118.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244118

0 1
O -3.767055 -0.715512 1.900919
O 3.595014 -0.132695 1.417098
O -6.327323 0.654984 -2.019171
O 7.587028 0.785344 -1.238369
N -0.376405 1.862072 0.741095
N -3.190665 1.479187 1.427186
N 3.399228 1.980998 0.498828
N -4.692399 0.238618 0.001459
N 5.221639 0.575554 -0.095773
C -1.432828 1.887657 -0.324112
C -0.768289 0.919194 1.841709
C -2.756866 2.364600 0.310131
C -2.109573 1.366355 2.455212
C 0.956180 1.489873 0.167394
C 2.036513 2.135602 1.064875
C -3.861044 0.238859 1.143404
C -5.584730 -0.820162 -0.345777
C 4.035346 0.721838 0.665276
C -6.469080 -0.602143 -1.449809
C -5.625809 -2.056676 0.303012
C -7.350942 -1.588420 -1.877166
C 6.115954 -0.531761 0.035279
C -6.516724 -3.049814 -0.129940
C -7.369056 -2.821634 -1.205945
C 7.393833 -0.430421 -0.600473
C 5.800960 -1.713920 0.709437
C 8.307215 -1.478242 -0.560235
C 6.724951 -2.768497 0.750182
C -7.279884 1.035895 -3.039401
C 7.962202 -2.655087 0.123364
C 8.886605 1.033836 -1.823976
H -1.119568 2.610032 -1.108080
H -1.578260 0.904812 -0.822161
H -0.840979 -0.139128 1.505430
H 0.023374 0.949626 2.622532
H -2.622094 3.386327 0.741547
H -3.550253 2.449500 -0.460909
H -2.426029 0.645719 3.245573
H -2.009656 2.366734 2.932573
H 1.043628 1.879399 -0.868181
H 1.123662 0.391343 0.105255
H 1.838273 3.223146 1.195790
H 2.015815 1.676134 2.082377
H 3.583732 2.531075 -0.336263
H -4.817234 1.107699 -0.532667
H -4.963989 -2.249781 1.157591
H 5.611935 1.386283 -0.588503
H -8.019660 -1.423426 -2.715882
H -6.533968 -4.006575 0.390171
H -8.057315 -3.597666 -1.535871
H 4.832342 -1.815946 1.215425
H 9.275380 -1.402673 -1.044897
H 6.461131 -3.681574 1.282092
H -6.972912 2.065711 -3.261225
H -7.166885 0.393940 -3.918143
H -8.298279 1.006154 -2.640500
H 8.673407 -3.478519 0.158864
H 9.076536 0.324499 -2.635035
H 9.664356 0.993785 -1.055488
H 8.767013 2.053486 -2.211730


%chk=000244118-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244118

0 1
O -4.296225 -1.063157 1.933474
O 3.935119 -0.408423 1.430812
O -6.655324 0.850600 -1.941066
O 7.930023 1.287472 -0.936952
N -0.214203 1.187219 0.272586
N -2.959900 0.487349 0.806970
N 3.567220 1.643543 0.378385
N -5.148347 0.013361 0.024764
N 5.671362 0.634467 0.207951
C -1.208926 1.146277 -0.824118
C -0.548498 0.157086 1.293920
C -2.629216 1.425331 -0.281300
C -1.943830 0.426064 1.879030
C 1.186003 1.105000 -0.206231
C 2.170258 1.714262 0.824331
C -4.149531 -0.238200 0.975135
C -6.395915 -0.643041 -0.097607
C 4.369044 0.549681 0.719136
C -7.227624 -0.193452 -1.172244
C -6.867467 -1.683393 0.738296
C -8.491294 -0.765969 -1.406499
C 6.712681 -0.313474 0.344604
C -8.137188 -2.259065 0.498552
C -8.948628 -1.808934 -0.563408
C 7.952151 0.032623 -0.280106
C 6.613979 -1.545698 1.033174
C 9.063138 -0.828503 -0.220677
C 7.732354 -2.410028 1.090071
C -7.439661 1.378818 -3.055682
C 8.950215 -2.060449 0.470338
C 9.159332 1.729474 -1.593626
H -0.953751 1.923349 -1.568863
H -1.215298 0.154503 -1.344939
H -0.522916 -0.870141 0.852718
H 0.194712 0.190894 2.108843
H -2.669052 2.470049 0.092753
H -3.334792 1.328681 -1.123546
H -2.244117 -0.374058 2.573693
H -1.926287 1.391768 2.425489
H 1.260471 1.675829 -1.152407
H 1.502784 0.056967 -0.424827
H 1.892249 2.765977 1.016636
H 2.108841 1.161007 1.776099
H 3.919636 2.373389 -0.241592
H -5.022463 0.758231 -0.663172
H -6.233099 -2.017159 1.561043
H 5.950492 1.465490 -0.322031
H -9.120582 -0.415172 -2.230046
H -8.488421 -3.063720 1.153374
H -9.931514 -2.257557 -0.742288
H 5.667049 -1.801261 1.512079
H 10.008439 -0.557206 -0.700305
H 7.643555 -3.360931 1.626079
H -6.818420 2.168414 -3.504266
H -7.644229 0.592016 -3.807162
H -8.395063 1.811314 -2.701093
H 9.812449 -2.733736 0.519497
H 9.454152 1.029855 -2.399231
H 9.986771 1.827623 -0.864860
H 8.924804 2.714342 -2.024286


