%chk=000197795.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197795

0 1
O -3.262013 1.558047 -2.541836
O 0.290078 -3.633584 -2.487844
O 3.009737 2.037814 -2.501122
O -1.156138 1.695259 -2.072891
O -0.884207 -1.871768 -2.051378
O 2.067993 0.146750 -2.042335
O -5.722381 -1.483566 2.209531
O 4.126900 -4.174148 2.294097
O 1.533877 5.700714 2.219532
O -6.400404 -0.225406 0.579011
O 3.386471 -5.413620 0.676461
O 2.987181 5.654817 0.611094
N -2.290842 1.293805 -1.864670
N 0.029544 -2.650598 -1.826468
N 2.284753 1.330591 -1.833445
N -5.538953 -0.775180 1.236695
N 3.427663 -4.383463 1.319871
N 2.070336 5.185333 1.255974
C -0.002575 -0.000455 -0.369173
C -1.452116 -0.167856 0.048237
C 0.864765 -1.165810 0.070120
C 0.570671 1.339684 0.053625
C -2.509265 0.436211 -0.670607
C 0.874527 -2.393598 -0.631090
C 1.633196 1.951408 -0.650621
C -1.771523 -0.949153 1.173589
C 1.694498 -1.035427 1.198519
C 0.036849 2.009604 1.169445
C -3.847624 0.228045 -0.295517
C 1.721889 -3.442878 -0.235902
C 2.116553 3.215359 -0.271069
C -3.092302 -1.153826 1.563228
C 2.530036 -2.071020 1.607970
C 0.514063 3.256685 1.563399
C -4.128074 -0.558445 0.823571
C 2.536762 -3.276221 0.885640
C 1.558759 3.854181 0.838133
H 0.005519 -0.007207 -1.527247
H -0.975360 -1.418581 1.758414
H 1.699429 -0.102914 1.770043
H -0.776588 1.556254 1.743083
H -4.669903 0.680961 -0.881486
H 1.744274 -4.389830 -0.808099
H 2.928930 3.699472 -0.845795
H -3.336083 -1.773091 2.438530
H 3.183117 -1.959717 2.485564
H 0.086383 3.779565 2.431019


%chk=000197795-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197795

0 1
O -3.366200 1.266841 -2.763017
O 0.552806 -3.607576 -2.685445
O 2.848832 2.264248 -2.704288
O -1.231873 1.751328 -2.140955
O -0.903053 -1.955279 -2.115584
O 2.159539 0.181790 -2.100056
O -5.780010 -1.408959 2.364121
O 4.095709 -4.264137 2.435313
O 1.621095 5.719891 2.376445
O -6.503898 -0.205248 0.562835
O 3.396013 -5.527556 0.665643
O 3.074246 5.728964 0.614144
N -2.374928 1.176364 -1.951833
N 0.152057 -2.672190 -1.902150
N 2.243337 1.458296 -1.908791
N -5.577900 -0.728502 1.287979
N 3.398533 -4.447855 1.366617
N 2.135191 5.197333 1.315931
C -0.000775 0.002952 -0.396473
C -1.469877 -0.152417 0.037483
C 0.864615 -1.187025 0.057228
C 0.593290 1.353872 0.042977
C -2.566106 0.381651 -0.702971
C 0.938721 -2.419229 -0.658821
C 1.624182 2.028743 -0.676421
C -1.797330 -0.886071 1.207575
C 1.669307 -1.084562 1.221727
C 0.094455 2.012597 1.196749
C -3.906700 0.191236 -0.317153
C 1.767403 -3.482717 -0.252762
C 2.126093 3.284263 -0.282896
C -3.124313 -1.079458 1.632207
C 2.495074 -2.133400 1.664892
C 0.584924 3.258299 1.627979
C -4.165471 -0.532853 0.856520
C 2.529730 -3.325212 0.914495
C 1.601815 3.877890 0.875302
H 0.006737 -0.003498 -1.496408
H -0.989159 -1.330246 1.795685
H 1.657465 -0.150019 1.789629
H -0.711076 1.540809 1.766308
H -4.723889 0.593354 -0.921641
H 1.818956 -4.404697 -0.837626
H 2.900840 3.784253 -0.870035
H -3.364134 -1.642794 2.537868
H 3.107602 -2.044353 2.565991
H 0.196530 3.754075 2.521482


