%chk=000235420.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235420

0 1
O 3.907591 -1.963177 0.244462
O 3.664780 2.604154 -1.313982
O 5.243315 0.337845 -0.393421
O -6.875467 0.176960 -0.071291
O -0.401246 -1.810713 1.657455
O -0.912059 0.077886 2.582840
N -0.818067 -0.665329 1.624938
C 1.045423 0.239771 -0.591826
C 1.737478 1.390884 -0.964265
C 1.732961 -0.916528 -0.191821
C -0.427623 0.254027 -0.653978
C 3.129899 -0.900239 -0.139515
C 3.150368 1.397246 -0.930448
C -1.281568 -0.140157 0.299431
C 3.865592 0.254547 -0.519914
C -2.747867 -0.094432 0.182364
C -3.393622 -0.845451 -0.809268
C -3.500990 0.713254 1.062142
C -4.783039 -0.796160 -0.944713
C -4.880093 0.777891 0.943301
C -5.512647 0.017287 -0.067012
C 3.230490 -3.143744 0.753603
C 5.105727 2.787513 -1.289634
C 5.979489 -0.664764 -1.147263
C -7.646726 -0.562117 -1.050815
H 1.222556 2.298813 -1.272048
H 1.174134 -1.810856 0.083379
H -0.835340 0.658845 -1.593678
H -2.809475 -1.478047 -1.479831
H -2.985891 1.283767 1.842293
H -5.272371 -1.383037 -1.714755
H -5.484612 1.393731 1.607274
H 4.078120 -3.763226 1.071648
H 2.661111 -3.624153 -0.046449
H 2.593321 -2.882709 1.606284
H 5.573145 2.142441 -2.038133
H 5.498488 2.570661 -0.288671
H 5.197474 3.849170 -1.544439
H 7.017139 -0.371975 -0.957271
H 5.727377 -0.606478 -2.207374
H 5.770042 -1.661888 -0.739747
H -7.524861 -1.638152 -0.897337
H -7.368113 -0.256412 -2.063139
H -8.670941 -0.244748 -0.811877


%chk=000235420-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235420

0 1
O 4.264859 -1.710821 0.664984
O 3.493045 2.092217 -2.298181
O 5.292337 0.308532 -1.016636
O -6.960766 0.230438 -0.140987
O -0.257961 -2.499966 1.463888
O -1.231769 -1.011763 2.881739
N -0.906355 -1.404488 1.694921
C 1.075313 -0.023013 -0.415395
C 1.648385 0.997771 -1.226544
C 1.953439 -0.951718 0.215668
C -0.387397 -0.000775 -0.302914
C 3.347126 -0.848387 0.044495
C 3.040348 1.097722 -1.414248
C -1.320097 -0.561861 0.543286
C 3.918121 0.158612 -0.798949
C -2.786237 -0.365250 0.390012
C -3.328732 -0.320924 -0.924529
C -3.686702 -0.221074 1.487570
C -4.705007 -0.117189 -1.152023
C -5.059791 -0.028390 1.272579
C -5.578673 0.031675 -0.045757
C 3.728578 -2.723431 1.585685
C 4.500611 3.044528 -1.779814
C 6.063658 -0.877897 -1.456405
C -7.547404 0.303898 -1.482653
H 1.016904 1.739152 -1.727241
H 1.541871 -1.764875 0.812248
H -0.852949 0.694079 -1.016024
H -2.670709 -0.485132 -1.784822
H -3.299535 -0.238756 2.509244
H -5.080418 -0.100126 -2.179336
H -5.750487 0.089816 2.112746
H 4.613407 -3.246824 1.976258
H 3.068863 -3.438465 1.059147
H 3.172335 -2.249631 2.415659
H 5.418628 2.517812 -1.472766
H 4.082350 3.613125 -0.926603
H 4.703997 3.726395 -2.619401
H 7.080173 -0.497559 -1.638032
H 5.636661 -1.279728 -2.394108
H 6.066024 -1.651799 -0.673431
H -7.399129 -0.642369 -2.038077
H -7.122232 1.146762 -2.061196
H -8.621279 0.471880 -1.316557


