%chk=000293181.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293181

0 1
O -1.580692 1.115553 -0.963425
O 1.355734 1.518220 0.750722
C -1.366674 -0.103806 -0.170176
C 1.503608 -0.860176 0.209390
C 0.897227 0.205194 1.145440
C -0.630122 0.328390 1.108426
C -0.627231 -1.084119 -1.090981
C 0.861046 -0.753351 -1.184431
C -2.775877 -0.589118 0.142336
C -3.004478 1.424307 -1.134076
C 2.999762 -0.682433 0.109011
C -3.724752 0.294886 -0.415315
C 2.784471 1.758252 0.828069
C 3.602944 0.552095 0.393602
C -3.187622 -1.706975 0.849553
C -3.231237 2.783073 -0.480035
C -3.261831 1.431437 -2.637276
C 3.789217 -1.775030 -0.283120
C -5.082559 0.073649 -0.271219
C 2.945774 2.936803 -0.137102
C 3.112303 2.139555 2.278860
C 4.996676 0.674178 0.282790
C -5.507830 -1.065079 0.450071
C -4.564913 -1.941573 1.001121
C 5.178215 -1.645852 -0.394427
C 5.781399 -0.408995 -0.107065
C -6.971525 -1.318601 0.614810
C 6.023616 -2.804374 -0.815966
H 1.279971 -1.868364 0.639090
H 1.238902 0.028562 2.191742
H -1.053323 -0.204606 1.979925
H -0.867701 1.412731 1.260636
H -1.085513 -1.030163 -2.099960
H -0.776293 -2.121222 -0.737680
H 1.366500 -1.421196 -1.903117
H 0.989054 0.285453 -1.564238
H -2.465062 -2.395262 1.282258
H -2.498935 3.511000 -0.855747
H -4.234532 3.170316 -0.674937
H -3.088274 2.729407 0.605923
H -2.553655 2.103120 -3.140878
H -3.111353 0.434789 -3.069032
H -4.276918 1.758864 -2.876985
H 3.314007 -2.727633 -0.505950
H -5.809628 0.756897 -0.701006
H 3.935064 3.393617 -0.073154
H 2.776144 2.613157 -1.172239
H 2.191052 3.706129 0.075654
H 4.101473 2.596097 2.367838
H 2.373263 2.857375 2.655332
H 3.088936 1.267759 2.940179
H 5.473339 1.629243 0.502734
H -4.895915 -2.817397 1.554911
H 6.859347 -0.297633 -0.190386
H -7.463742 -0.484973 1.136151
H -7.468174 -1.431556 -0.359644
H -7.184495 -2.228119 1.191047
H 6.535322 -2.594437 -1.766312
H 6.800014 -3.024903 -0.069928
H 5.443377 -3.724661 -0.959114


%chk=000293181-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000293181

0 1
O -1.425300 0.883169 -0.927469
O 1.195546 1.402761 0.635596
C -1.376402 -0.360885 -0.088891
C 1.571891 -1.001105 0.248405
C 0.901289 0.055379 1.156541
C -0.628202 -0.089773 1.249153
C -0.643759 -1.443582 -0.919883
C 0.841376 -1.082042 -1.120184
C -2.844388 -0.684013 0.152433
C -2.830383 1.404777 -1.051668
C 3.055705 -0.687481 0.097716
C -3.674165 0.317394 -0.397157
C 2.632299 1.791682 0.707397
C 3.554441 0.626105 0.308968
C -3.415268 -1.786602 0.815398
C -2.914927 2.754105 -0.301153
C -3.119338 1.579122 -2.556872
C 3.956024 -1.722840 -0.264359
C -5.073948 0.232681 -0.292776
C 2.723691 2.959162 -0.298965
C 2.946056 2.279022 2.148237
C 4.947463 0.852802 0.160183
C -5.670152 -0.874108 0.370503
C -4.824644 -1.874647 0.918497
C 5.341576 -1.499971 -0.424726
C 5.827472 -0.184148 -0.202401
C -7.181667 -0.982096 0.486718
C 6.285225 -2.623194 -0.819575
H 1.471391 -1.992450 0.742544
H 1.321486 -0.037885 2.184034
H -0.846072 -0.936819 1.931249
H -1.043072 0.821621 1.715503
H -1.160033 -1.544331 -1.891456
H -0.727116 -2.418621 -0.394516
H 1.338406 -1.832190 -1.763848
H 0.911358 -0.102656 -1.627477
H -2.785159 -2.574543 1.245714
H -2.180283 3.459735 -0.726213
H -3.925961 3.194291 -0.391898
H -2.684802 2.618009 0.769232
H -2.386042 2.277100 -2.997247
H -3.038531 0.611145 -3.080076
H -4.134422 1.986902 -2.720183
H 3.556599 -2.734864 -0.416677
H -5.713322 1.015012 -0.721662
H 3.729487 3.414299 -0.297006
H 2.494556 2.601246 -1.316485
H 1.983409 3.731180 -0.026210
H 3.990269 2.630668 2.230752
H 2.268808 3.110841 2.409152
H 2.808351 1.466056 2.883423
H 5.351797 1.858363 0.327657
H -5.277296 -2.732565 1.430175
H 6.899207 0.023646 -0.312272
H -7.608819 -0.109842 1.016634
H -7.660607 -1.021772 -0.509965
H -7.480783 -1.889672 1.038632
H 6.737913 -2.437202 -1.812304
H 7.117584 -2.724546 -0.098045
H 5.761091 -3.593329 -0.868129


