%chk=000185454.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185454

0 1
O 5.434306 0.615759 -0.252098
O -1.125356 0.158237 0.699217
O -4.427393 0.717004 1.899769
N -4.872626 -1.843303 0.567615
C 6.651018 -1.367475 -0.258734
C 7.889294 -2.202143 0.022870
C 6.516454 -2.747185 0.364140
C 6.381255 -0.124255 0.559413
C 5.013720 1.870517 0.341992
C -5.869651 -2.285707 -0.467608
C 3.915730 2.372664 -0.599879
C -3.856738 -0.858055 0.100584
C -3.368287 -0.077990 1.338365
C -5.189449 -2.876695 -1.721050
C -6.739867 -3.368991 0.202282
C -6.744548 -1.082634 -0.860758
C 2.558630 1.838417 -0.237571
C -2.301093 0.970879 0.978133
C 2.363988 0.442958 -0.159524
C 1.487216 2.700496 0.009696
C 0.053282 0.811581 0.400980
C 1.119884 -0.081405 0.158824
C 0.219311 2.196870 0.331420
H 6.329964 -1.236223 -1.304561
H 8.445626 -2.627127 -0.809467
H 8.565973 -1.916770 0.824226
H 6.222677 -2.846962 1.406054
H 6.097091 -3.558716 -0.226219
H 7.291044 0.487508 0.694686
H 5.924031 -0.341651 1.540062
H 4.644737 1.690883 1.366046
H 5.881156 2.551848 0.367316
H 3.921620 3.479630 -0.620171
H 4.167933 2.050854 -1.638320
H -4.396605 -2.656716 0.973439
H -2.983733 -1.319561 -0.410847
H -4.315962 -0.151757 -0.626663
H -2.997005 -0.762049 2.135315
H -4.605210 -2.126358 -2.262101
H -5.931652 -3.270118 -2.423478
H -4.515571 -3.700720 -1.469372
H -7.167563 -3.004557 1.144826
H -7.573742 -3.658881 -0.444723
H -6.172015 -4.276268 0.428722
H -7.536244 -1.377251 -1.555808
H -7.222140 -0.640352 0.022050
H -6.159876 -0.289940 -1.340795
H -2.101314 1.640359 1.833705
H -2.558645 1.560441 0.084295
H 3.216382 -0.219583 -0.347631
H 1.626333 3.779453 -0.045803
H 0.948852 -1.152414 0.226487
H -0.599222 2.882240 0.520204
H -5.267506 0.194716 1.883148


%chk=000185454-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185454

0 1
O 5.505878 0.710342 -0.440558
O -1.009577 -0.205856 0.787504
O -4.415817 0.275696 2.088653
N -5.061136 -1.851348 0.619028
C 7.019040 -1.169941 -0.288091
C 7.718076 -2.219995 0.592245
C 6.266083 -2.437503 0.136232
C 6.645951 0.164996 0.313115
C 5.116777 2.048939 0.027647
C -6.017498 -2.126877 -0.511273
C 3.865094 2.486883 -0.754627
C -3.731684 -1.255598 0.307391
C -3.272451 -0.470345 1.566973
C -5.372126 -3.011300 -1.616487
C -7.222398 -2.870509 0.114950
C -6.500691 -0.784468 -1.113127
C 2.573917 1.795938 -0.334865
C -2.174731 0.552654 1.271628
C 2.430729 0.381709 -0.417887
C 1.473171 2.545897 0.142780
C 0.142453 0.521286 0.438650
C 1.233034 -0.249409 -0.036049
C 0.259938 1.928550 0.530586
H 7.333378 -1.112805 -1.335744
H 8.503823 -2.831329 0.139797
H 7.892427 -1.974704 1.645099
H 5.470773 -2.327102 0.879929
H 6.068873 -3.199229 -0.623136
H 7.502577 0.875474 0.254737
H 6.369506 0.048217 1.386130
H 4.910852 2.027710 1.120887
H 5.952821 2.761040 -0.158455
H 3.752300 3.581587 -0.633605
H 4.074698 2.303735 -1.827360
H -4.953230 -2.698773 1.197626
H -2.958687 -1.991224 0.010091
H -3.858422 -0.540630 -0.524943
H -2.897270 -1.189918 2.329024
H -4.490739 -2.515595 -2.062677
H -6.093902 -3.211336 -2.429957
H -5.046630 -3.984163 -1.201303
H -7.688010 -2.254676 0.904840
H -7.984275 -3.092085 -0.653006
H -6.907271 -3.832550 0.564767
H -7.266049 -0.970548 -1.887945
H -6.941678 -0.148003 -0.325828
H -5.677483 -0.221705 -1.588750
H -1.920150 1.108700 2.195181
H -2.522018 1.270715 0.500870
H 3.276826 -0.213898 -0.774770
H 1.555826 3.637919 0.214303
H 1.118400 -1.336496 -0.098185
H -0.567603 2.544949 0.894056
H -5.193201 -0.309518 1.806607


