%chk=000296781.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296781

0 1
O -2.779723 1.226891 -1.594850
O 1.998184 1.795350 0.418927
O 1.867363 -2.588809 1.520257
O -1.585171 2.775679 -0.461245
O 1.483278 1.663624 -1.786329
N -0.598099 -1.567948 0.733033
C -1.648130 -0.739300 0.356683
C -1.085979 0.426546 -0.206021
C 0.626565 -0.955973 0.412019
C 0.332985 0.287048 -0.160961
C -3.043855 -1.121903 0.581828
C 1.894059 -1.651779 0.744821
C -1.787555 1.611653 -0.711687
C 1.295182 1.297902 -0.650543
C 3.149165 -1.175426 0.101684
C -3.953189 -1.111299 -0.486907
C -3.470128 -1.503081 1.866023
C -5.281037 -1.490338 -0.271725
C -4.798742 -1.879084 2.071706
C 3.213906 -0.955389 -1.281536
C 4.286856 -0.989746 0.901209
C -5.703773 -1.876226 1.003754
C 4.414549 -0.536131 -1.859921
C 5.482256 -0.562141 0.317342
C 5.546128 -0.335868 -1.061536
C -3.563119 2.298601 -2.187182
C 3.016111 2.790147 0.117075
H -0.671622 -2.472863 1.179420
H -3.620208 -0.791725 -1.480002
H -2.772778 -1.489959 2.702949
H -5.986939 -1.482684 -1.101485
H -5.132177 -2.171532 3.066779
H 2.332160 -1.106118 -1.907503
H 4.233160 -1.181429 1.974464
H -6.739475 -2.171737 1.168556
H 4.464539 -0.359681 -2.934383
H 6.365309 -0.412015 0.936867
H 6.480133 -0.006213 -1.516216
H -4.261447 2.679083 -1.436104
H -4.075957 1.795444 -3.012418
H -2.903198 3.097967 -2.544013
H 2.619371 3.543851 -0.572279
H 3.882703 2.278413 -0.312996
H 3.232336 3.214196 1.103244


%chk=000296781-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296781

0 1
O -3.118900 1.457276 -1.462371
O 1.963639 2.030207 0.127912
O 1.671649 -2.321940 1.752970
O -1.303529 2.845587 -1.025092
O 1.379042 1.723066 -2.108653
N -0.616739 -1.372729 0.652091
C -1.697023 -0.658998 0.168706
C -1.150367 0.494220 -0.476902
C 0.601206 -0.763463 0.337602
C 0.283092 0.426038 -0.354956
C -3.061875 -1.148061 0.457658
C 1.817611 -1.437959 0.835850
C -1.823242 1.701770 -0.994074
C 1.231549 1.442453 -0.896977
C 3.171023 -1.135196 0.281307
C -4.089455 -1.160808 -0.523286
C -3.337536 -1.691316 1.746514
C -5.355666 -1.704379 -0.221079
C -4.605860 -2.230693 2.044866
C 3.372916 -0.788292 -1.080831
C 4.295399 -1.295307 1.135071
C -5.620945 -2.241387 1.060162
C 4.680345 -0.583380 -1.573133
C 5.597609 -1.076391 0.645176
C 5.793673 -0.717765 -0.711445
C -3.846571 2.656840 -1.943740
C 2.953243 3.047311 -0.305367
H -0.648766 -2.252158 1.174814
H -3.885265 -0.749448 -1.513814
H -2.569145 -1.656088 2.528496
H -6.135354 -1.714818 -0.990585
H -4.803773 -2.633241 3.044182
H 2.522878 -0.710079 -1.766003
H 4.124178 -1.593587 2.174582
H -6.606433 -2.661341 1.289594
H 4.827444 -0.327438 -2.627822
H 6.459117 -1.189415 1.312262
H 6.807174 -0.555025 -1.095191
H -3.926985 3.404474 -1.137105
H -4.837135 2.283009 -2.239172
H -3.314985 3.103636 -2.800264
H 2.448746 3.841107 -0.880544
H 3.729103 2.572735 -0.930080
H 3.378910 3.436971 0.629468


