%chk=000181391.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181391

0 1
O -1.554163 0.882977 1.526675
O 1.552258 0.911843 -1.519227
O -6.369532 -2.189105 1.331589
O -5.421165 2.128372 -0.045939
O 6.364695 -2.164903 -1.376732
O 5.426545 2.131017 0.073274
N -5.583562 -0.047068 0.808138
N 5.583829 -0.030081 -0.817354
C -0.708156 -0.496922 -0.299070
C 0.708489 -0.500947 0.282277
C -1.759488 -0.344807 0.810469
C 1.759522 -0.327921 -0.824494
C -3.186079 -0.389253 0.239530
C 3.186176 -0.380065 -0.254382
C -4.214303 -0.172996 1.358533
C 4.214189 -0.143544 -1.369482
C -6.556489 -1.109584 0.835334
C -6.065274 1.127308 0.127810
C 6.554224 -1.094294 -0.862470
C 6.068320 1.131534 -0.117347
C -7.764201 -0.541956 0.143745
C -7.473419 0.787053 -0.274743
C 7.763162 -0.541379 -0.161166
C 7.475520 0.781062 0.279702
C -8.993810 -1.114267 -0.098072
C -8.411339 1.548871 -0.936396
C 8.991317 -1.120698 0.071168
C 8.415132 1.529273 0.954355
C -9.959655 -0.334339 -0.778940
C -9.675872 0.963416 -1.187325
C 9.958900 -0.354764 0.765324
C 9.678179 0.936577 1.195573
H -0.797193 0.331090 -1.035260
H -0.892289 -1.423804 -0.874098
H 0.893977 -1.437449 0.841068
H 0.796278 0.314169 1.032856
H -1.617586 -1.100094 1.618494
H 1.618791 -1.069216 -1.645573
H -3.312081 0.388475 -0.541445
H -3.364589 -1.355651 -0.269343
H 3.311246 0.384516 0.539608
H 3.365997 -1.354726 0.238067
H -3.966738 0.756558 1.927584
H -4.200722 -1.022599 2.080189
H 3.967587 0.797152 -1.920270
H 4.199144 -0.979001 -2.107438
H -1.673356 1.658115 0.941536
H 1.669839 1.676857 -0.920648
H -9.220904 -2.132046 0.221800
H -8.192880 2.568068 -1.257880
H 9.216007 -2.133466 -0.265844
H 8.199079 2.543412 1.293000
H -10.940194 -0.768406 -0.981236
H -10.433426 1.549276 -1.710497
H 10.938332 -0.794582 0.960434
H 10.437032 1.511642 1.728741


%chk=000181391-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181391

0 1
O -1.644527 1.152427 1.507138
O 1.639913 1.178985 -1.491979
O -6.281878 -2.358068 1.116019
O -5.667935 2.214607 0.173830
O 6.276411 -2.336242 -1.168185
O 5.672608 2.219327 -0.140327
N -5.659684 -0.084116 0.785538
N 5.658822 -0.067796 -0.794139
C -0.715027 -0.298864 -0.292289
C 0.714918 -0.300721 0.286527
C -1.797810 -0.140884 0.794790
C 1.796687 -0.124318 -0.798834
C -3.226071 -0.279768 0.226633
C 3.225759 -0.268447 -0.234113
C -4.296851 -0.146471 1.332984
C 4.294814 -0.118073 -1.339905
C -6.547446 -1.198380 0.712870
C -6.240572 1.097496 0.241675
C 6.544850 -1.184672 -0.744194
C 6.242999 1.102611 -0.229883
C -7.800697 -0.673297 0.078578
C -7.617256 0.703044 -0.202950
C 7.800386 -0.673561 -0.103102
C 7.619907 0.697578 0.204465
C -9.000992 -1.329798 -0.229981
C -8.628512 1.468416 -0.801629
C 9.000280 -1.337691 0.190273
C 8.633816 1.449904 0.815092
C -10.031053 -0.564169 -0.837172
C -9.847774 0.813403 -1.118298
C 10.033044 -0.585268 0.809250
C 9.852691 0.787064 1.116638
H -0.807362 0.528785 -1.025108
H -0.895657 -1.239909 -0.850315
H 0.898533 -1.248881 0.831384
H 0.805070 0.516960 1.030686
H -1.637859 -0.882892 1.600608
H 1.637705 -0.854800 -1.615290
H -3.389330 0.505684 -0.538702
H -3.329609 -1.259145 -0.278086
H 3.388693 0.506402 0.541981
H 3.331503 -1.254718 0.256563
H -4.108060 0.773173 1.913399
H -4.259970 -1.014166 2.015308
H 4.106665 0.811503 -1.904477
H 4.254940 -0.974054 -2.036713
H -1.830482 1.882577 0.860466
H 1.823420 1.899946 -0.834398
H -9.131297 -2.393440 -0.007310
H -8.475898 2.531289 -1.013563
H 9.128271 -2.397176 -0.052647
H 8.483495 2.508865 1.047286
H -10.982604 -1.042296 -1.093111
H -10.660567 1.378472 -1.586991
H 10.984398 -1.069649 1.053912
H 10.667480 1.341913 1.594001


