%chk=000222147.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222147

0 1
O -5.144787 0.414331 -0.185880
O -4.053813 0.144762 -2.559315
O 0.527447 -1.799548 0.376321
O 0.850102 -0.462919 2.193209
O 3.502037 -1.297552 0.940428
O -4.980378 -1.733964 0.568355
N 2.749801 0.533443 -0.234381
C -1.008658 0.904765 -0.573211
C -2.978758 0.819366 0.860074
C -3.751464 0.536833 -0.275114
C -1.597454 1.011460 0.692285
C -3.161470 0.438142 -1.559646
C -1.787043 0.636677 -1.713646
C 0.446458 1.062231 -0.736835
C -3.612483 0.884988 2.205724
C 1.354947 0.345579 -0.045355
C 0.922423 -0.657319 1.004417
C 3.763542 -0.316953 0.281541
C 5.140963 0.148346 -0.075962
C -3.522643 -0.032788 -3.897234
C 5.987549 0.599873 0.944465
C 5.587372 0.090530 -1.402393
C -5.669955 -0.813153 0.213058
C -0.042188 -2.871945 1.206159
C 7.286826 1.008574 0.629433
C 6.889003 0.496761 -1.708176
C 7.736318 0.957756 -0.694178
C -7.152941 -0.712696 0.126570
C -1.465866 -2.524320 1.577359
H -0.978940 1.230777 1.564289
H -1.311423 0.557742 -2.684870
H 0.743664 1.801815 -1.482912
H -2.970028 1.365511 2.955500
H -3.838143 -0.131495 2.571636
H -4.563254 1.438092 2.179038
H 3.021183 1.343716 -0.796593
H -3.073929 0.898417 -4.253670
H -4.431544 -0.274945 -4.463448
H -2.813215 -0.865367 -3.917631
H 5.636049 0.624207 1.977744
H 4.930080 -0.280760 -2.188689
H 0.613165 -3.016349 2.083172
H 0.037268 -3.724427 0.507389
H 7.950347 1.361543 1.418503
H 7.245097 0.450140 -2.736627
H 8.751025 1.274062 -0.936152
H -7.540953 -1.404164 -0.638756
H -7.622655 -0.984661 1.083749
H -7.489812 0.301450 -0.145553
H -1.976681 -3.366728 2.057840
H -2.065681 -2.240959 0.698380
H -1.504706 -1.671175 2.270487


%chk=000222147-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222147

0 1
O -5.343387 0.448656 -0.254194
O -4.236873 0.474205 -2.745151
O 0.703527 -1.864652 1.160941
O 1.227347 0.012689 2.456649
O 3.680115 -1.149342 1.129233
O -5.595340 -1.743379 -1.062213
N 2.702167 0.401976 -0.305488
C -1.108681 0.488722 -0.630873
C -3.134399 0.434937 0.788167
C -3.923818 0.409954 -0.381192
C -1.727788 0.483229 0.648442
C -3.337404 0.454514 -1.674733
C -1.933870 0.495550 -1.792192
C 0.348694 0.537913 -0.829046
C -3.793955 0.412730 2.152933
C 1.349570 0.118751 0.010496
C 1.118457 -0.559920 1.346628
C 3.812335 -0.242126 0.251849
C 5.159715 0.220450 -0.230573
C -3.679313 0.398309 -4.097122
C 6.277708 -0.090243 0.586246
C 5.367869 0.910484 -1.455026
C -6.104443 -0.665761 -0.711749
C 0.534131 -2.689152 2.400078
C 7.575619 0.300869 0.200180
C 6.668815 1.297863 -1.842962
C 7.775131 0.999979 -1.013894
C -7.570833 -0.304836 -0.685947
C -0.864296 -2.515293 2.998746
H -1.116970 0.549850 1.552795
H -1.462219 0.512542 -2.779974
H 0.669236 0.967191 -1.791740
H -3.045458 0.541252 2.952347
H -4.318603 -0.546146 2.324090
H -4.550635 1.211787 2.246442
H 2.867313 1.147275 -0.984310
H -3.056764 1.285475 -4.325452
H -4.551732 0.376430 -4.766143
H -3.082228 -0.523953 -4.229965
H 6.099988 -0.641909 1.514934
H 4.535428 1.119413 -2.138900
H 1.325887 -2.400541 3.112954
H 0.704548 -3.715794 2.039430
H 8.430397 0.061730 0.841860
H 6.820612 1.821651 -2.792920
H 8.783754 1.302543 -1.316061
H -7.785486 0.395199 -1.513155
H -8.181416 -1.210978 -0.809077
H -7.828056 0.207654 0.255568
H -1.000607 -3.234841 3.827764
H -1.643664 -2.707920 2.241443
H -0.998325 -1.497280 3.400738


