%chk=000281453.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281453

0 1
O -4.451539 -2.474970 -1.390255
O -4.091185 -0.481388 2.721426
O 4.095019 0.478613 -2.721129
O 4.447347 2.480926 1.386998
N -1.656174 -0.866455 0.147039
N 1.655382 0.867498 -0.151497
N -4.314985 -1.532480 0.695194
N 4.314838 1.533765 -0.696582
C -0.173943 -0.752678 -0.030656
C 0.172869 0.753636 0.023858
C -2.224830 -2.009367 -0.621023
C -2.033486 -0.978523 1.584314
C 2.035160 0.976582 -1.588361
C 2.222198 2.012387 0.615007
C -3.745247 -2.019038 -0.517666
C -3.548235 -0.935351 1.737984
C 3.550198 0.933940 -1.739348
C 3.742785 2.022482 0.514333
C -5.809172 -1.465806 0.793157
C 5.809229 1.467950 -0.791977
C -6.326030 -0.172360 0.213448
C 6.326033 0.175975 -0.208949
C -6.471082 0.954694 1.034624
C 6.655894 0.104084 1.151810
C -6.657605 -0.097505 -1.146736
C 6.472746 -0.952680 -1.027628
C -6.968177 2.145787 0.499199
C 7.152311 -1.088348 1.684869
C -7.154067 1.096278 -1.676714
C 6.969784 -2.142407 -0.489128
C -7.313788 2.216749 -0.854501
C 7.313688 -2.210412 0.865159
H 0.415524 -1.309029 0.730739
H 0.130176 -1.172486 -1.014165
H -0.415464 1.309794 -0.738523
H -0.132677 1.173726 1.006836
H -1.841481 -3.012208 -0.322884
H -1.959935 -1.877467 -1.700184
H -1.605702 -0.104590 2.134885
H -1.647928 -1.888263 2.100233
H 1.649960 1.884938 -2.106977
H 1.608872 0.101158 -2.137718
H 1.955438 1.882824 1.693996
H 1.838930 3.014383 0.313928
H -6.234969 -2.346060 0.254099
H -6.094297 -1.566576 1.867926
H 6.096057 1.566860 -1.866461
H 6.233523 2.349536 -0.253902
H -6.184121 0.900377 2.086811
H 6.512705 0.976982 1.792145
H -6.515720 -0.969181 -1.789031
H 6.187115 -0.900657 -2.080298
H -7.085009 3.019623 1.137652
H 7.412204 -1.143092 2.740527
H -7.415293 1.153321 -2.731920
H 7.087902 -3.017486 -1.125639
H -7.704303 3.144233 -1.268530
H 7.704161 -3.136839 1.281590


%chk=000281453-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281453

0 1
O -4.545120 -2.562502 -1.395875
O -4.134461 -0.466583 2.752005
O 4.139158 0.463794 -2.752438
O 4.541602 2.568420 1.391811
N -1.696839 -0.864786 0.088790
N 1.696472 0.866935 -0.094566
N -4.376533 -1.430091 0.639254
N 4.377093 1.431519 -0.641146
C -0.238313 -0.722469 -0.134411
C 0.237560 0.724966 0.126289
C -2.297136 -1.993761 -0.642995
C -2.083526 -0.908869 1.509378
C 2.085832 0.908092 -1.514520
C 2.295151 1.997628 0.635905
C -3.819191 -2.016569 -0.523436
C -3.599427 -0.897274 1.696200
C 3.602083 0.896402 -1.698453
C 3.817422 2.020512 0.519163
C -5.872309 -1.406657 0.775471
C 5.873127 1.408005 -0.774414
C -6.492154 -0.137596 0.202611
C 6.492033 0.140336 -0.197458
C -6.691178 0.998723 1.027730
C 6.881663 0.089490 1.165330
C -6.884328 -0.083568 -1.159326
C 6.692706 -0.997860 -1.019582
C -7.270109 2.173327 0.497246
C 7.459156 -1.084233 1.699162
C -7.462715 1.091433 -1.689363
C 7.270745 -2.171185 -0.485306
C -7.657438 2.222580 -0.862357
C 7.655525 -2.217265 0.875133
H 0.364971 -1.416541 0.498460
H -0.039632 -0.991015 -1.188293
H -0.364597 1.418952 -0.507764
H 0.037239 0.993956 1.179750
H -1.919933 -2.993502 -0.298031
H -2.066663 -1.914177 -1.718126
H -1.700216 -0.027605 2.047275
H -1.682450 -1.814816 2.038255
H 1.685578 1.812839 -2.046070
H 1.703763 0.025587 -2.051259
H 2.062648 1.920342 1.710770
H 1.918371 2.996526 0.288054
H -6.240948 -2.298317 0.243635
H -6.083296 -1.495507 1.853107
H 6.086185 1.494404 -1.851843
H 6.240607 2.300938 -0.243910
H -6.383776 0.957889 2.079184
H 6.723661 0.968588 1.800886
H -6.727557 -0.961207 -1.797196
H 6.387286 -0.959466 -2.071706
H -7.422674 3.045858 1.142449
H 7.759430 -1.114248 2.752645
H -7.764953 1.123905 -2.742212
H 7.424605 -3.045187 -1.128207
H -8.109828 3.132588 -1.272784
H 8.107228 -3.126280 1.288504


