%chk=000203201.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203201

0 1
O -0.153799 1.313226 0.571006
O -5.350690 -2.231622 -1.153817
O -6.998186 1.340398 0.387583
O -7.410488 -0.688690 -0.526532
N 3.870025 0.089916 -0.054409
N -0.960806 -0.656515 -0.324952
C 2.535597 0.699528 0.223506
C 1.461582 -0.354025 -0.105343
C 4.956328 1.121747 -0.080083
C 6.305170 0.452306 0.025051
C 0.079142 0.223852 0.096468
C -2.358509 -0.410294 -0.257641
C 7.199463 0.822359 1.039391
C 6.673518 -0.534165 -0.902452
C -3.206606 -1.422742 -0.732566
C -2.892941 0.795168 0.263181
C -5.149362 -0.018224 -0.163467
C -4.595626 -1.219143 -0.681952
C -4.262277 0.976905 0.304396
C 8.454695 0.211822 1.120743
C 7.927206 -1.143568 -0.814390
C 8.820382 -0.770919 0.195998
C -6.592862 0.139597 -0.134745
C -8.436125 1.561997 0.444583
H 2.390976 1.590959 -0.429123
H 2.410568 1.056156 1.269862
H 1.600363 -1.255901 0.527054
H 1.610750 -0.702155 -1.152505
H 4.883007 1.656816 -1.057979
H 4.838199 1.898889 0.707765
H 4.086209 -0.617403 0.658430
H -0.692143 -1.561811 -0.725287
H 6.923540 1.585317 1.764387
H 5.972794 -0.823935 -1.686314
H -2.835886 -2.359848 -1.139487
H -2.220243 1.578072 0.629962
H -4.685565 1.904893 0.704557
H 9.148365 0.503384 1.907615
H 8.210014 -1.909140 -1.535083
H 9.797684 -1.244770 0.261440
H -6.367756 -2.037854 -1.097343
H -8.499481 2.563537 0.882748
H -8.853177 1.526075 -0.566955
H -8.898848 0.801706 1.081901


%chk=000203201-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203201

0 1
O -0.142178 1.593594 0.628252
O -5.289455 -2.350809 -1.009702
O -7.168839 1.292242 0.114342
O -7.398919 -0.894910 -0.641829
N 3.904101 0.173032 0.268477
N -0.951918 -0.487591 -0.109451
C 2.582441 0.817968 0.416920
C 1.469495 -0.213126 0.163231
C 5.052963 1.102849 0.368386
C 6.380831 0.390759 0.136254
C 0.068004 0.404138 0.256730
C -2.355917 -0.285921 -0.128269
C 7.516570 0.710809 0.920791
C 6.506869 -0.586910 -0.884382
C -3.155119 -1.376241 -0.547234
C -2.963184 0.951266 0.253742
C -5.183925 -0.018045 -0.209739
C -4.559485 -1.257517 -0.592879
C -4.357602 1.061864 0.206661
C 8.758922 0.077067 0.685810
C 7.745094 -1.225058 -1.117553
C 8.877003 -0.893866 -0.334896
C -6.643596 0.071136 -0.267589
C -8.646945 1.407368 0.062597
H 2.504223 1.628950 -0.330833
H 2.423776 1.295553 1.411799
H 1.546541 -1.039231 0.901838
H 1.625659 -0.667182 -0.835306
H 4.906469 1.882236 -0.408375
H 5.094149 1.644622 1.345765
H 4.019732 -0.624223 0.910946
H -0.641820 -1.417026 -0.405908
H 7.429227 1.458025 1.719817
H 5.622170 -0.838816 -1.479020
H -2.712350 -2.333000 -0.845433
H -2.334149 1.782503 0.571544
H -4.839945 2.000146 0.495462
H 9.628654 0.335805 1.300585
H 7.829939 -1.978110 -1.909709
H 9.837840 -1.388652 -0.516741
H -6.279051 -2.092653 -0.984020
H -8.855705 2.434119 0.393039
H -9.006357 1.236788 -0.965700
H -9.110013 0.667948 0.736781


