%chk=000207180.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207180

0 1
O 1.653974 1.025239 0.625561
O 1.963107 2.047886 -1.366347
O 5.098576 -2.280781 1.276671
N -5.904349 -0.443394 -0.060832
C -4.580654 1.669112 0.167557
C -3.231493 1.043410 -0.207253
C -5.753593 0.969673 -0.543221
C -2.068864 1.733447 0.517486
C -0.725539 1.108329 0.125342
C -6.738301 -1.252362 -1.011903
C -6.473423 -0.481679 1.328234
C 0.428607 1.792872 0.849727
C -5.927345 -1.586415 -2.265368
C -6.189761 -1.839540 1.972836
C 2.336442 1.235578 -0.549994
C 3.537882 0.355655 -0.620515
C 3.800159 -0.588726 0.368075
C 4.398362 0.509286 -1.723259
C 4.954917 -1.389894 0.235919
C 5.532227 -0.294966 -1.828898
C 5.825610 -1.254466 -0.851792
C 6.246524 -3.162920 1.257362
H -4.723055 1.619365 1.266238
H -4.590457 2.743549 -0.096670
H -3.254014 -0.039190 0.039668
H -3.082382 1.093763 -1.302418
H -5.551988 0.944219 -1.637855
H -6.679481 1.569552 -0.409314
H -2.215433 1.661298 1.612678
H -2.065244 2.814916 0.278565
H -0.571080 1.182153 -0.971545
H -0.720932 0.023656 0.353893
H -7.023376 -2.200980 -0.502790
H -7.686983 -0.746412 -1.292416
H -5.973542 0.314301 1.928086
H -7.562420 -0.263510 1.355580
H 0.348181 1.742538 1.950202
H 0.588657 2.832170 0.513702
H -5.721212 -0.696560 -2.870677
H -4.954173 -2.018823 -1.994189
H -6.454918 -2.309065 -2.895039
H -6.749142 -2.648479 1.489676
H -5.124257 -2.094606 1.886989
H -6.451917 -1.834096 3.035020
H 3.139035 -0.715806 1.228224
H 4.167516 1.256348 -2.485285
H 6.201368 -0.178497 -2.682156
H 6.712411 -1.872482 -0.949540
H 6.098704 -3.739062 2.180870
H 6.211369 -3.815124 0.380217
H 7.173101 -2.583779 1.302295


%chk=000207180-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207180

0 1
O 1.690137 0.793077 0.760611
O 2.009416 2.044364 -1.183695
O 5.493601 -2.339662 1.163631
N -6.133350 -0.335940 -0.066800
C -4.623723 1.693041 0.085602
C -3.290527 0.960440 -0.175260
C -5.829522 1.018028 -0.607584
C -2.094361 1.596079 0.567364
C -0.759071 0.874593 0.268529
C -6.762720 -1.231531 -1.074968
C -6.906356 -0.270025 1.203233
C 0.414907 1.531229 1.006532
C -5.757837 -1.773799 -2.109452
C -6.735725 -1.524251 2.082233
C 2.394632 1.145333 -0.393433
C 3.642849 0.340865 -0.559479
C 4.018295 -0.648486 0.375720
C 4.454311 0.600521 -1.697476
C 5.211488 -1.383055 0.176418
C 5.637214 -0.137365 -1.884144
C 6.028230 -1.131867 -0.955198
C 6.716033 -3.132246 1.011421
H -4.803446 1.751298 1.178787
H -4.553693 2.740686 -0.274840
H -3.408951 -0.099018 0.123884
H -3.081674 0.959441 -1.265908
H -5.596798 0.915823 -1.684243
H -6.724055 1.688516 -0.540420
H -2.291705 1.579729 1.660040
H -2.007987 2.664978 0.279318
H -0.560138 0.899536 -0.819373
H -0.832313 -0.188694 0.568345
H -7.204455 -2.088878 -0.535460
H -7.609719 -0.720379 -1.601819
H -6.544119 0.606497 1.771651
H -7.995158 -0.088937 1.007964
H 0.290436 1.480672 2.101207
H 0.547060 2.579920 0.683528
H -5.292195 -0.962755 -2.698104
H -4.950643 -2.328129 -1.599435
H -6.263682 -2.454841 -2.819463
H -7.108316 -2.436050 1.581140
H -5.668171 -1.679310 2.317034
H -7.295990 -1.411886 3.029502
H 3.398789 -0.851630 1.252160
H 4.139544 1.372296 -2.405943
H 6.268785 0.055425 -2.758136
H 6.952625 -1.693303 -1.120097
H 6.732358 -3.802765 1.882970
H 6.695292 -3.731813 0.080283
H 7.617801 -2.489069 1.019016


