%chk=000206859.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206859

1 1
O -0.580477 1.515287 0.009763
O -0.984564 1.067164 -2.165587
O -6.138213 -1.340845 0.733811
N 3.722902 -1.656114 -0.165361
C 2.140583 0.343253 -0.209835
C 2.755129 0.890705 1.099309
C 3.168760 -0.495717 -0.994411
C 3.309444 -0.273929 1.937622
C 4.313002 -1.115311 1.147865
C 1.640768 1.499768 -1.084068
C 1.683070 1.671227 1.881747
C 0.592420 2.327510 -0.328138
C 1.088991 2.806978 1.040431
C 4.860518 -2.354005 -0.936929
C 2.629010 -2.655636 0.137817
C 4.426439 -2.935493 -2.268633
C -1.365207 1.003635 -1.015590
C -2.589020 0.400623 -0.483066
C -3.434745 -0.291310 -1.383253
C -2.952624 0.523390 0.868561
C -4.610158 -0.864653 -0.935612
C -4.133686 -0.043623 1.339712
C -4.957606 -0.733032 0.432392
C -6.644929 -1.244483 2.091919
H 1.251950 -0.292563 0.044385
H 3.590346 1.590510 0.849928
H 2.697687 -0.895489 -1.922939
H 4.016857 0.147458 -1.323635
H 2.482913 -0.899619 2.331427
H 3.815022 0.124638 2.845926
H 5.209459 -0.496596 0.904512
H 4.669915 -1.969665 1.767487
H 2.468833 2.164885 -1.395696
H 1.186105 1.119992 -2.028969
H 2.113511 2.084785 2.814301
H 0.862924 0.992396 2.195173
H 0.224733 3.167667 -0.960232
H 0.242109 3.268466 1.593542
H 1.831027 3.616849 0.894105
H 5.682357 -1.614730 -1.096707
H 5.280805 -3.161922 -0.290417
H 2.167719 -3.046657 -0.788968
H 3.011577 -3.518904 0.710404
H 1.813938 -2.194805 0.731259
H 5.286279 -3.421122 -2.767807
H 3.658316 -3.716434 -2.179368
H 4.058920 -2.183411 -2.980903
H -3.147704 -0.361352 -2.438046
H -2.298910 1.074526 1.551414
H -5.282130 -1.401036 -1.605799
H -4.410160 0.061147 2.384374
H -6.826948 -0.198623 2.356084
H -5.961224 -1.736805 2.788282
H -7.592136 -1.798175 2.011120


%chk=000206859-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206859

1 1
O -0.605321 1.489182 0.048784
O -1.283309 1.490648 -2.187630
O -6.386952 -1.271723 0.653021
N 3.796648 -1.693634 -0.121524
C 2.156461 0.296285 -0.180931
C 2.811378 0.911201 1.082684
C 3.155189 -0.565527 -0.967017
C 3.426595 -0.205896 1.955245
C 4.411841 -1.077624 1.163076
C 1.600485 1.403822 -1.108977
C 1.780829 1.770024 1.852733
C 0.590242 2.296306 -0.355281
C 1.171383 2.867612 0.947677
C 4.958356 -2.354705 -0.913455
C 2.762191 -2.748890 0.246771
C 4.553558 -3.087221 -2.196831
C -1.529668 1.200346 -0.987944
C -2.755856 0.544600 -0.490473
C -3.715500 0.102542 -1.448053
C -3.025873 0.368667 0.891738
C -4.907325 -0.502235 -1.034660
C -4.224522 -0.232623 1.320515
C -5.170654 -0.670841 0.353498
C -6.758276 -1.439552 2.066226
H 1.292896 -0.323642 0.137097
H 3.633918 1.582009 0.743461
H 2.672357 -1.047139 -1.833699
H 3.996590 0.054557 -1.330494
H 2.627063 -0.818734 2.414514
H 3.992817 0.233805 2.798360
H 5.269122 -0.470579 0.820337
H 4.795553 -1.922075 1.762172
H 2.429148 2.050699 -1.464428
H 1.105535 0.980053 -2.000329
H 2.260603 2.236100 2.734122
H 0.968179 1.118734 2.230335
H 0.239113 3.096791 -1.031341
H 0.379036 3.413439 1.489077
H 1.949458 3.608989 0.677140
H 5.666766 -1.538415 -1.139399
H 5.447081 -3.046714 -0.204335
H 2.259512 -3.098947 -0.665871
H 3.273285 -3.590211 0.740654
H 2.017013 -2.318427 0.927398
H 5.476339 -3.473542 -2.664586
H 3.902544 -3.957700 -2.012777
H 4.073534 -2.426942 -2.937853
H -3.506041 0.254876 -2.511653
H -2.299107 0.724083 1.627790
H -5.657568 -0.843554 -1.753375
H -4.420750 -0.345730 2.390429
H -6.819373 -0.461283 2.578663
H -6.041998 -2.099725 2.590738
H -7.750627 -1.910737 2.043364


