%chk=000277261.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277261

0 1
O 0.074110 0.276976 2.954541
O -0.917931 -3.672812 0.756160
O 0.320291 3.422553 -1.053799
O 2.473898 3.830242 -1.595263
N -1.551410 1.343822 -0.127879
N 0.522108 -2.494070 2.089176
C -1.899495 -0.647357 0.955577
C -1.177801 0.557678 0.992495
C -2.723050 -0.622710 -0.217454
C -2.483728 0.633371 -0.874918
C -1.819333 -1.758510 1.931389
C -0.195146 0.981499 1.994501
C 0.517240 2.309890 1.819158
C 1.914676 2.086609 1.229037
C -3.628522 -1.542403 -0.796973
C -3.146801 0.982958 -2.078865
C -0.722862 -2.732754 1.508520
C 1.897487 1.841420 -0.283454
C -4.267293 -1.195222 -1.967503
C -4.028079 0.061682 -2.600410
C 1.722646 -3.214069 1.607367
C 2.427649 -2.422856 0.528329
C 1.676373 3.113873 -1.046285
C 1.858231 -2.341366 -0.752088
C 3.637589 -1.769677 0.795871
C 2.502049 -1.617940 -1.757638
C 4.280355 -1.048533 -0.215954
C 3.715688 -0.972617 -1.492414
C -0.090003 4.613006 -1.776600
H -2.782387 -2.314228 1.983604
H -1.641273 -1.364041 2.960814
H -1.132473 2.234037 -0.370003
H 0.610914 2.789362 2.818913
H -0.056298 3.030505 1.202325
H 2.399897 1.218880 1.729421
H 2.558737 2.959220 1.465313
H -3.792189 -2.507395 -0.316516
H -2.956440 1.936469 -2.558194
H 1.135724 1.075220 -0.551969
H 2.870691 1.398382 -0.606022
H -4.967543 -1.883683 -2.436835
H -4.563713 0.281336 -3.524849
H 0.690869 -1.633258 2.622930
H 2.389269 -3.410367 2.476744
H 1.416542 -4.216143 1.209504
H 0.910549 -2.849277 -0.954391
H 4.084671 -1.826972 1.786488
H 2.062404 -1.563951 -2.752705
H 5.227553 -0.553056 -0.009403
H 4.223839 -0.422674 -2.282351
H -0.967532 4.964678 -1.226228
H -0.337543 4.308147 -2.798032
H 0.711096 5.363626 -1.780780


%chk=000277261-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277261

0 1
O 0.445354 0.196806 2.745247
O -1.201297 -3.905266 1.020969
O 0.092494 3.487927 -1.248292
O 2.173679 4.509488 -1.424780
N -1.481485 1.304908 -0.187830
N 0.465852 -2.534756 1.933990
C -1.884873 -0.638883 0.986955
C -1.096325 0.545094 0.945104
C -2.748674 -0.602465 -0.164381
C -2.465769 0.616850 -0.883712
C -1.848802 -1.736264 2.017658
C -0.069255 0.993675 1.876174
C 0.444944 2.437935 1.841739
C 1.889738 2.519670 1.270991
C -3.726375 -1.506424 -0.668993
C -3.135064 0.945369 -2.087808
C -0.837379 -2.843613 1.615696
C 1.996980 2.326628 -0.273613
C -4.393698 -1.177141 -1.858823
C -4.100478 0.037575 -2.558708
C 1.600187 -3.374180 1.519116
C 2.502324 -2.672522 0.505525
C 1.496412 3.537583 -1.035180
C 1.955382 -2.154398 -0.698036
C 3.891165 -2.529859 0.741919
C 2.782743 -1.510872 -1.643869
C 4.723101 -1.884532 -0.203519
C 4.171177 -1.372391 -1.399592
C -0.489698 4.653449 -1.967337
H -2.835872 -2.220556 2.094354
H -1.568702 -1.327203 3.003769
H -0.982696 2.137873 -0.535774
H 0.478857 2.773079 2.894971
H -0.236190 3.114859 1.297848
H 2.496053 1.733899 1.757316
H 2.339632 3.492417 1.544302
H -3.928982 -2.449577 -0.151130
H -2.913347 1.867941 -2.635394
H 1.456335 1.416115 -0.585531
H 3.059506 2.198401 -0.540834
H -5.144686 -1.859686 -2.270485
H -4.640161 0.260442 -3.486183
H 0.637077 -1.606791 2.363351
H 2.191701 -3.671227 2.406023
H 1.160040 -4.290813 1.082722
H 0.881393 -2.265410 -0.890347
H 4.324497 -2.923489 1.670128
H 2.350409 -1.129138 -2.576359
H 5.796678 -1.783418 -0.007289
H 4.814787 -0.878169 -2.136343
H -1.573930 4.470292 -1.980016
H -0.081435 4.701372 -2.989670
H -0.249024 5.586896 -1.433641


