%chk=000200870.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200870

0 1
O 1.260166 -0.526315 -3.104784
O -1.250856 0.497815 2.985045
O 3.439258 0.352979 -0.668505
O -3.430022 -0.381368 0.548910
O 8.698357 0.430678 0.957325
O -8.689221 -0.458611 -1.076523
N 0.585878 0.595038 -1.239199
N -0.576592 -0.623444 1.119390
C 0.895266 1.131679 0.111502
C -0.751652 -0.062357 -1.308248
C 0.760930 0.033963 1.188432
C -0.886011 -1.160065 -0.231302
C 1.566446 0.150563 -2.134499
C -1.557127 -0.179069 2.014775
C 3.000270 0.675265 -2.011269
C -2.990899 -0.703947 1.891562
C 4.804688 0.424208 -0.414442
C -4.795459 -0.452557 0.294976
C 5.755315 1.018650 -1.240711
C -5.746030 -1.047015 1.121237
C 5.142609 -0.152754 0.832361
C -5.133444 0.124525 -0.951794
C 7.095339 1.045325 -0.822373
C -7.086122 -1.073575 0.702998
C 6.461780 -0.121210 1.246783
C -6.452619 0.093107 -1.366102
C 7.432659 0.480860 0.408104
C -7.423495 -0.508978 -0.527369
C 9.784367 1.007830 0.194980
C -9.775255 -1.035745 -0.314186
H 0.184828 1.966151 0.316687
H 1.921033 1.566310 0.144511
H -0.902124 -0.499700 -2.324600
H -1.530891 0.720235 -1.165947
H 1.540176 -0.748621 1.046089
H 0.911415 0.471283 2.204788
H -1.911792 -1.594665 -0.264362
H -0.175591 -1.994552 -0.436498
H 3.639495 0.158782 -2.755307
H 3.048689 1.769714 -2.154121
H -3.630150 -0.187769 2.635772
H -3.039070 -1.798445 2.034076
H 5.488804 1.462074 -2.195609
H -5.479503 -1.490562 2.076074
H 4.363792 -0.609920 1.440389
H -4.354598 0.581638 -1.559825
H 7.842659 1.504613 -1.462230
H -7.833378 -1.532903 1.342898
H 6.774019 -0.549588 2.198650
H -6.764959 0.521565 -2.317901
H 9.622577 2.079884 0.051996
H 10.641973 0.825546 0.856406
H 9.905668 0.480754 -0.755563
H -10.632902 -0.853182 -0.975480
H -9.896382 -0.508862 0.636486
H -9.613613 -2.107856 -0.171450


%chk=000200870-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200870

0 1
O 1.422131 -0.559366 -3.264238
O -1.413075 0.531609 3.144940
O 3.666013 -0.098965 -0.698098
O -3.656815 0.070770 0.578594
O 9.025528 0.527326 0.936771
O -9.016117 -0.556439 -1.056620
N 0.772533 0.329972 -1.209737
N -0.763427 -0.357642 1.090409
C 1.011782 1.038236 0.067195
C -0.613736 -0.158989 -1.377494
C 0.622837 0.131335 1.258168
C -1.002686 -1.065895 -0.186525
C 1.717125 0.039839 -2.181370
C -1.708041 -0.067511 2.062016
C 3.162879 0.498538 -1.945916
C -3.153726 -0.526422 1.826577
C 5.029786 0.124035 -0.388233
C -5.020534 -0.152450 0.268652
C 5.918913 0.888696 -1.173945
C -5.909643 -0.917064 1.054431
C 5.483272 -0.485808 0.809297
C -5.473985 0.457117 -0.929031
C 7.266134 1.046943 -0.762701
C -7.256810 -1.075540 0.643100
C 6.815930 -0.328274 1.216671
C -6.806591 0.299356 -1.336490
C 7.716343 0.439941 0.431826
C -7.706985 -0.468814 -0.551579
C 9.994846 1.298888 0.158031
C -9.985415 -1.327963 -0.277818
H 0.390498 1.955826 0.090219
H 2.071318 1.313350 0.159518
H -0.662542 -0.711989 -2.329552
H -1.309462 0.701489 -1.418818
H 1.318572 -0.729136 1.299500
H 0.671634 0.684342 2.210222
H -2.062231 -1.340991 -0.278841
H -0.381420 -1.983495 -0.209557
H 3.746600 0.138667 -2.811600
H 3.230751 1.607043 -1.892482
H -3.737543 -0.166445 2.692153
H -3.221473 -1.634945 1.773348
H 5.592960 1.364330 -2.103666
H -5.583716 -1.392485 1.984270
H 4.779995 -1.079687 1.401039
H -4.770724 1.050965 -1.520824
H 7.941787 1.641324 -1.384766
H -7.932449 -1.669881 1.265218
H 7.184611 -0.791577 2.136543
H -7.175245 0.762445 -2.256481
H 9.685981 2.358821 0.063985
H 10.935137 1.236844 0.725212
H 10.139132 0.864749 -0.851087
H -10.925665 -1.266130 -0.845090
H -10.129835 -0.893652 0.731207
H -9.676440 -2.387845 -0.183549


