%chk=000296528.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296528

0 1
O 0.247334 -3.737020 -1.783014
O -0.312160 -3.741593 1.743036
O -4.776751 2.184097 0.764975
O 4.728484 2.173349 -0.786597
O -4.799801 2.101953 -2.123413
O 4.750976 2.082490 2.101616
N -1.910410 -1.791703 0.538650
N 1.850978 -1.794979 -0.572532
N -1.851965 -1.812731 -1.758545
N 1.792334 -1.822912 1.724588
C -0.553747 -3.641871 -0.595761
C 0.489268 -3.644974 0.556122
C -1.421130 -2.414767 -0.627960
C 1.359903 -2.420281 0.592145
C -2.697624 -0.713917 0.110208
C 2.641023 -0.720615 -0.140742
C -2.652899 -0.740052 -1.332577
C 2.596191 -0.751098 1.301961
C -3.442869 0.247715 0.817940
C 3.389074 0.241039 -0.845469
C -3.342365 0.236075 -2.081940
C 3.288354 0.220784 2.054341
C -4.120623 1.187693 0.058950
C 4.069487 1.176746 -0.083567
C -4.061247 1.185993 -1.379955
C 4.009967 1.170813 1.355315
C -6.203720 2.280110 0.495006
C 6.155591 2.265007 -0.515871
C -4.291607 3.462865 -2.032746
C 4.246182 3.444959 2.015390
H -1.193387 -4.560204 -0.528191
H 1.126475 -4.564802 0.485827
H -1.689584 -2.064345 1.489026
H 1.629068 -2.063820 -1.523754
H -3.486948 0.263873 1.903389
H 3.433253 0.260422 -1.930861
H -3.306755 0.235698 -3.170807
H 3.252644 0.217202 3.143200
H -0.297838 -3.501342 -2.582817
H 0.233625 -3.509836 2.543576
H -6.393403 2.378932 -0.580729
H -6.478733 3.189187 1.040210
H -6.703406 1.399695 0.907784
H 6.345165 2.360507 0.560184
H 6.433108 3.174799 -1.058607
H 6.653178 1.384399 -0.930772
H -5.027268 4.023065 -2.619343
H -3.299019 3.512040 -2.488346
H -4.269209 3.792780 -0.988046
H 4.224180 3.778185 0.971738
H 4.983503 4.001491 2.603394
H 3.253923 3.495197 2.471590


%chk=000296528-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296528

0 1
O 0.152322 -3.361503 -1.880121
O -0.215992 -3.367008 1.841563
O -5.554655 1.884721 0.729288
O 5.505009 1.871743 -0.751884
O -5.030821 2.221340 -2.089907
O 4.982131 2.201171 2.068438
N -2.217943 -1.809093 0.557722
N 2.158874 -1.813959 -0.591358
N -1.811500 -1.557097 -1.671216
N 1.753077 -1.567695 1.638341
C -0.555005 -3.407365 -0.593667
C 0.491172 -3.410908 0.554938
C -1.513219 -2.243307 -0.552888
C 1.452945 -2.249652 0.517908
C -3.036555 -0.747300 0.140562
C 2.980366 -0.755692 -0.170935
C -2.771894 -0.601907 -1.266753
C 2.716100 -0.613902 1.236821
C -3.966583 0.064973 0.817219
C 3.912463 0.056227 -0.845152
C -3.432352 0.400440 -2.010582
C 3.379170 0.384483 1.983659
C -4.633768 1.045999 0.058809
C 4.582145 1.033287 -0.083821
C -4.349819 1.228599 -1.341076
C 4.298681 1.212363 1.316620
C -6.959193 1.748564 0.273276
C 6.909232 1.731145 -0.296235
C -4.673870 3.611367 -1.720297
C 4.628442 3.593187 1.703204
H -1.123920 -4.357005 -0.517503
H 1.057089 -4.362075 0.475676
H -2.043312 -2.186996 1.492605
H 1.983102 -2.188379 -1.527430
H -4.200328 -0.037787 1.880284
H 4.145910 -0.043894 -1.908534
H -3.241566 0.549743 -3.076340
H 3.188772 0.531084 3.049861
H -0.408508 -2.753947 -2.456418
H 0.346554 -2.762767 2.419679
H -7.042695 1.958291 -0.807834
H -7.528672 2.487036 0.857857
H -7.330124 0.728659 0.490421
H 6.993167 1.937579 0.785469
H 7.480363 2.470014 -0.878697
H 7.277905 0.711044 -0.516287
H -5.286293 4.254509 -2.370702
H -3.599541 3.792760 -1.914949
H -4.902451 3.805608 -0.656678
H 4.857494 3.790264 0.640205
H 5.242361 4.232839 2.355638
H 3.554538 3.776499 1.898404


