%chk=000213997.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213997

0 1
O 0.897114 -2.328418 -0.784271
O 0.958478 2.373956 -0.795081
O -1.996138 -2.479217 0.762594
O -1.959189 2.568971 0.704161
O -0.938672 0.056978 2.681731
O -1.591918 -4.584778 0.039184
O -1.532318 4.665124 -0.032611
N -0.056771 -1.178056 0.935286
N -0.034073 1.253971 0.920741
C 1.507606 0.015239 -0.654846
C 1.623566 0.020108 -2.206200
C 0.766467 -1.261894 -0.232459
C 0.800866 1.312221 -0.242078
C 2.911712 -0.035753 -0.053858
C -0.400023 0.044848 1.599190
C 0.272501 0.045936 -2.907150
C 3.635479 -1.238869 -0.107932
C 3.506402 1.099003 0.514575
C -0.719125 -2.410349 1.441938
C -0.691259 2.499390 1.400656
C 4.924544 -1.309061 0.423292
C 4.798356 1.022669 1.045268
C 5.508795 -0.179540 1.005863
C -2.302882 -3.614865 0.014978
C -2.249765 3.699968 -0.056882
C -3.595483 -3.348831 -0.702847
C -3.535409 3.436163 -0.787773
C -4.487860 -4.581797 -0.682646
C -4.419071 4.675557 -0.790153
H 2.227468 0.903676 -2.507596
H 2.197205 -0.877357 -2.522424
H -0.303088 0.948038 -2.664797
H 0.405543 0.041165 -3.997815
H -0.339043 -0.830739 -2.660218
H 3.198108 -2.129530 -0.569379
H 2.988659 2.059330 0.539646
H -0.104339 -3.312102 1.215254
H -0.976970 -2.299847 2.518648
H -0.066436 3.392529 1.167965
H -0.963135 2.407758 2.475727
H 5.475940 -2.248388 0.380920
H 5.250953 1.909951 1.488133
H 6.513400 -0.236429 1.422433
H -4.116058 -2.474066 -0.251266
H -3.358400 -3.050612 -1.748693
H -4.067704 2.569479 -0.334280
H -3.287933 3.126298 -1.827834
H -4.824138 -4.825206 0.333670
H -5.382694 -4.431945 -1.298880
H -3.961757 -5.467176 -1.070131
H -3.882130 5.553335 -1.180094
H -5.307667 4.525962 -1.415430
H -4.765516 4.931402 0.219671


%chk=000213997-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213997

0 1
O 0.514032 -2.364156 -0.929071
O 0.560095 2.362273 -0.916643
O -2.059071 -2.761301 0.748633
O -1.996039 2.809275 0.768073
O -1.168228 0.006323 2.709766
O -1.391473 -4.995860 0.547501
O -1.271077 5.026854 0.576739
N -0.263143 -1.200814 0.919153
N -0.237263 1.205088 0.926803
C 1.189888 -0.007774 -0.757228
C 1.372693 -0.005400 -2.307961
C 0.444585 -1.274301 -0.309449
C 0.469831 1.270817 -0.302540
C 2.606474 -0.023233 -0.081262
C -0.583849 0.003602 1.600123
C 0.055279 0.006818 -3.110167
C 3.264562 -1.252802 0.179369
C 3.288387 1.192033 0.185194
C -0.803233 -2.448093 1.468528
C -0.748437 2.460558 1.485416
C 4.570437 -1.263931 0.717082
C 4.594241 1.175018 0.722781
C 5.239883 -0.051516 0.995813
C -2.199849 -4.087545 0.271921
C -2.102660 4.140983 0.297371
C -3.450322 -4.192783 -0.581436
C -3.350514 4.282603 -0.554468
C -3.812576 -5.647327 -0.929825
C -3.673646 5.747490 -0.897868
H 1.978149 0.882593 -2.560602
H 1.963947 -0.901697 -2.564960
H -0.540578 0.911004 -2.894153
H 0.278125 0.006799 -4.192022
H -0.554931 -0.888359 -2.896989
H 2.773000 -2.203866 -0.050612
H 2.815506 2.153705 -0.039864
H -0.088549 -3.273135 1.320341
H -1.048311 -2.280766 2.526049
H -0.014334 3.269646 1.344073
H -0.997815 2.290554 2.541509
H 5.063858 -2.222189 0.913139
H 5.106310 2.122492 0.923387
H 6.252070 -0.062374 1.414348
H -4.273686 -3.679011 -0.051803
H -3.268495 -3.600189 -1.499892
H -4.186977 3.789576 -0.025626
H -3.185589 3.688188 -1.474933
H -4.032494 -6.231815 -0.019813
H -4.701884 -5.673628 -1.583554
H -2.978233 -6.146704 -1.450396
H -2.826815 6.225611 -1.418231
H -4.562883 5.799926 -1.550108
H -3.876199 6.334939 0.014264


