%chk=000196983.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196983

0 1
O 2.072277 -1.108475 -0.032827
O -1.783966 1.597702 0.539743
O -2.093610 -3.202069 0.485405
O -4.085198 -0.744780 1.732738
O -1.787423 3.790308 0.542725
C 2.794259 -2.436521 -0.137975
C 0.752240 -1.028639 0.148666
C -0.071507 -2.166237 0.244121
C 0.219038 0.295786 0.241446
C 1.869176 -3.606583 -0.029221
C -1.186169 0.393158 0.424465
C -1.473646 -1.997031 0.437995
C -2.052817 -0.720729 0.513455
C 0.546958 -3.478342 0.148560
C 3.450661 -2.321561 -1.507592
C 3.777189 -2.346594 1.021841
C 0.990894 1.507424 0.172751
C 2.465970 1.463041 -0.006741
C 0.376036 2.721439 0.272112
C -3.509142 -0.442040 0.711365
C -1.036857 2.862684 0.449212
C -4.211402 0.191260 -0.453405
C 3.013629 1.477121 -1.297925
C 3.304424 1.435957 1.117398
C -3.511897 -3.324354 0.764565
C -4.665022 -0.780814 -1.492399
C 4.401601 1.456884 -1.460508
C 4.691220 1.415992 0.945231
C -4.399902 1.517106 -0.500440
C 5.240094 1.426018 -0.341332
C -5.106947 2.230221 -1.599103
H 2.354997 -4.576306 -0.103304
H -0.118122 -4.342432 0.229575
H 4.223506 -3.083770 -1.650891
H 2.716241 -2.433206 -2.315410
H 3.920533 -1.334234 -1.633705
H 4.559385 -3.109249 0.949970
H 4.265638 -1.360405 1.044792
H 3.271458 -2.476027 1.987497
H 0.939340 3.656510 0.222381
H 2.358482 1.499294 -2.167895
H 2.874453 1.426515 2.118477
H -4.097930 -2.850096 -0.037823
H -3.744760 -2.896741 1.751334
H -3.640048 -4.414090 0.762211
H -4.596422 -1.828395 -1.154239
H -5.712979 -0.599663 -1.772334
H -4.056993 -0.688334 -2.404303
H 4.829812 1.470878 -2.461560
H 5.344688 1.398242 1.816178
H -4.017361 2.164432 0.300600
H 6.320993 1.414395 -0.471614
H -4.886046 1.805893 -2.587683
H -4.834056 3.294495 -1.632251
H -6.197170 2.177862 -1.457330


%chk=000196983-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196983

0 1
O 2.256484 -1.363740 -0.051195
O -1.609557 1.569842 0.254989
O -2.122328 -3.271199 -0.025967
O -3.852676 -1.111212 1.551666
O -1.456187 3.857572 0.502093
C 2.831296 -2.682277 0.458914
C 0.882380 -1.176222 -0.016067
C 0.009972 -2.292865 -0.001339
C 0.385205 0.170198 -0.057904
C 1.931236 -3.824277 0.019008
C -1.033270 0.311214 0.082550
C -1.404500 -2.084898 0.046507
C -1.953471 -0.773297 0.137111
C 0.593181 -3.629959 -0.142796
C 4.225569 -2.739883 -0.181262
C 2.900671 -2.574804 1.998961
C 1.196218 1.384428 -0.129874
C 2.650383 1.400012 -0.484087
C 0.592636 2.620559 0.070528
C -3.391811 -0.502367 0.530076
C -0.823235 2.801543 0.306476
C -4.232079 0.443964 -0.275244
C 3.110350 0.819203 -1.695130
C 3.573295 2.102350 0.333723
C -3.564507 -3.319833 -0.313996
C -3.797823 0.865653 -1.669163
C 4.462581 0.935259 -2.075623
C 4.932715 2.201976 -0.037838
C -5.385257 0.891442 0.317282
C 5.381826 1.621734 -1.245956
C -6.379437 1.855950 -0.266421
H 2.393724 -4.807224 -0.123974
H -0.079989 -4.451776 -0.398107
H 4.773402 -3.624427 0.190593
H 4.147405 -2.806941 -1.279371
H 4.799875 -1.833270 0.073916
H 3.346178 -3.493938 2.420911
H 3.522234 -1.711186 2.294991
H 1.891153 -2.457533 2.429396
H 1.178952 3.539796 -0.001965
H 2.405160 0.281581 -2.337542
H 3.227398 2.549694 1.272677
H -3.843776 -2.564682 -1.072536
H -4.143807 -3.150476 0.607276
H -3.731355 -4.332979 -0.710489
H -2.976854 0.232377 -2.046436
H -4.635805 0.790948 -2.386131
H -3.439985 1.910569 -1.674865
H 4.800716 0.492579 -3.019183
H 5.636106 2.734721 0.611675
H -5.587090 0.525422 1.334459
H 6.433727 1.706372 -1.541027
H -6.158809 2.127247 -1.311438
H -6.395600 2.790121 0.330352
H -7.405020 1.439836 -0.216207


