%chk=000198281.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198281

0 1
O 3.925859 -0.095483 -0.702237
O 5.347899 -1.099332 0.741017
C 1.988681 1.127755 -0.078559
C 0.685935 1.142439 0.764220
C 2.848790 -0.089963 0.308752
C 2.100521 -1.415866 0.149222
C -0.040227 -0.182522 0.605200
C 0.782161 -1.402122 0.928673
C 2.801756 2.428988 0.049792
C 0.917113 1.429473 2.252267
C -1.328619 -0.256434 0.223420
C 2.080679 3.633929 -0.546729
C -2.164361 0.934948 -0.064341
C -2.054569 -1.538148 0.047910
C 5.139206 -0.638506 -0.357434
C -2.714001 1.682152 0.989257
C -1.846544 -2.312539 -1.104540
C -2.419652 1.307526 -1.393196
C -2.962488 -1.970921 1.026528
C 6.064326 -0.542832 -1.521158
C -3.510392 2.796088 0.711530
C -2.541785 -3.512747 -1.271695
C -3.215520 2.423733 -1.662775
C -3.652563 -3.173444 0.852919
C -3.761164 3.169649 -0.612806
C -3.443731 -3.945930 -0.294204
H 1.694785 1.009135 -1.153729
H 0.050120 1.972573 0.354389
H 3.316389 0.012472 1.310675
H 2.741121 -2.251889 0.493445
H 1.907339 -1.605775 -0.925814
H 0.982565 -1.418627 2.021711
H 0.224995 -2.339898 0.722378
H 3.774620 2.286976 -0.467480
H 3.050743 2.624633 1.110602
H -0.026787 1.393980 2.808506
H 1.599008 0.707564 2.714224
H 1.346850 2.427618 2.398597
H 1.844337 3.480724 -1.606182
H 1.136728 3.841430 -0.028532
H 2.697852 4.536773 -0.476368
H -2.519808 1.390025 2.018934
H -1.145214 -1.973961 -1.864283
H -2.000469 0.721795 -2.209055
H -3.129746 -1.365526 1.915146
H 5.595653 -0.056759 -2.391537
H 6.400308 -1.543726 -1.834154
H 6.965021 0.032556 -1.256093
H -3.937916 3.373815 1.529136
H -2.381416 -4.111747 -2.166423
H -3.413297 2.711532 -2.693925
H -4.356716 -3.508216 1.612752
H -4.381838 4.037057 -0.825954
H -3.983538 -4.880825 -0.427100


%chk=000198281-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198281

0 1
O 3.960028 -0.128310 -0.767155
O 5.370142 -1.181172 0.770081
C 1.984960 1.144704 -0.089940
C 0.710292 1.192952 0.833390
C 2.857405 -0.080216 0.257209
C 2.084808 -1.409665 0.200340
C -0.047772 -0.133840 0.712256
C 0.806829 -1.339085 1.078373
C 2.814088 2.455805 -0.064981
C 1.044954 1.550143 2.310073
C -1.351048 -0.230876 0.271398
C 2.018965 3.714390 -0.475312
C -2.230065 0.964991 0.028159
C -2.009171 -1.553140 -0.020229
C 5.163416 -0.722657 -0.377736
C -2.397504 1.991234 0.999096
C -1.429875 -2.495849 -0.913746
C -2.969828 1.066894 -1.183356
C -3.270300 -1.866436 0.557418
C 6.141790 -0.740815 -1.533744
C -3.251379 3.090222 0.758506
C -2.075400 -3.719201 -1.200793
C -3.816238 2.168477 -1.430617
C -3.913745 -3.091620 0.279408
C -3.960457 3.188549 -0.460691
C -3.318450 -4.025801 -0.600945
H 1.616171 0.996872 -1.128110
H 0.071379 2.000107 0.435824
H 3.340008 0.035463 1.246858
H 2.739395 -2.232683 0.540430
H 1.805201 -1.608583 -0.852753
H 1.117402 -1.246882 2.140259
H 0.243602 -2.281767 0.998662
H 3.667203 2.323762 -0.756539
H 3.252866 2.602321 0.942886
H 0.136737 1.493872 2.936923
H 1.793261 0.870849 2.755837
H 1.441458 2.578208 2.386655
H 1.537402 3.575351 -1.461688
H 1.223957 3.960182 0.252268
H 2.686111 4.592922 -0.546725
H -1.876588 1.910477 1.959536
H -0.478095 -2.254961 -1.401382
H -2.872954 0.274799 -1.934575
H -3.742867 -1.142177 1.230725
H 6.098036 0.204212 -2.098788
H 5.876009 -1.557764 -2.229134
H 7.159730 -0.916055 -1.155598
H -3.369921 3.863737 1.525990
H -1.612395 -4.427683 -1.897248
H -4.366843 2.229511 -2.376308
H -4.880072 -3.316504 0.745090
H -4.623349 4.040717 -0.648081
H -3.820289 -4.974381 -0.822578


