%chk=000229677.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229677

0 1
O 1.092521 -0.260517 -0.879729
O 1.081925 -2.172963 0.460911
C 2.567343 -0.287278 1.063959
C 2.388075 0.209939 -0.404647
C 2.282196 1.739756 -0.632679
C 2.346820 -1.827019 1.054136
C 0.926820 -1.681393 -0.880271
C 3.993571 -0.032466 1.568174
C 1.536820 0.359943 1.993131
C -0.518833 -1.962525 -1.288212
C 1.825569 2.017105 -2.071372
C 3.612230 2.447571 -0.361802
C -1.521026 -1.258701 -0.364257
C -2.969022 -1.539048 -0.779863
C -3.983323 -0.840673 0.137043
C -4.038695 0.674834 -0.097058
C -5.059873 1.351593 0.827822
C -5.119279 2.860085 0.596150
H 3.172425 -0.229876 -1.056808
H 1.503255 2.140773 0.063395
H 2.245823 -2.239223 2.073605
H 3.149729 -2.359568 0.517993
H 1.691933 -2.147253 -1.533014
H 4.194793 1.047163 1.655298
H 4.752550 -0.451327 0.900387
H 4.148636 -0.464924 2.562789
H 1.603446 -0.028778 3.013271
H 0.520855 0.145459 1.622173
H 1.652006 1.446851 2.041985
H -0.665385 -1.629946 -2.334738
H -0.686346 -3.057950 -1.268784
H 0.890684 1.478191 -2.288319
H 1.640303 3.083135 -2.231190
H 2.565744 1.690651 -2.807742
H 3.929874 2.329625 0.684706
H 3.527297 3.522641 -0.557966
H 4.416481 2.065297 -0.999223
H -1.344028 -1.586771 0.680432
H -1.316940 -0.167885 -0.370825
H -3.130372 -1.222970 -1.828380
H -3.156673 -2.630481 -0.762665
H -3.737224 -1.049637 1.196271
H -4.986227 -1.279545 -0.029729
H -3.035322 1.116120 0.062572
H -4.290522 0.884197 -1.154043
H -4.802888 1.146188 1.885401
H -6.062794 0.909617 0.669150
H -5.409002 3.098477 -0.433469
H -5.848489 3.334902 1.261518
H -4.148363 3.334007 0.780212


%chk=000229677-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229677

0 1
O 1.062273 -0.134988 -0.779118
O 1.015590 -2.074724 0.633734
C 2.750222 -0.266676 1.051960
C 2.455931 0.249129 -0.405464
C 2.501007 1.771177 -0.709861
C 2.388254 -1.787694 1.069685
C 0.831355 -1.572075 -0.728198
C 4.259925 -0.212767 1.408312
C 1.897432 0.484126 2.100551
C -0.599883 -1.862706 -1.171484
C 2.239913 1.999094 -2.220999
C 3.814908 2.478383 -0.300452
C -1.679505 -1.160708 -0.318522
C -3.108359 -1.532176 -0.776734
C -4.232424 -0.893060 0.075163
C -4.312335 0.648179 -0.030075
C -5.506248 1.247196 0.748023
C -5.586018 2.785594 0.640225
H 3.158829 -0.281585 -1.096078
H 1.662856 2.228428 -0.146939
H 2.458755 -2.183545 2.097261
H 3.103196 -2.343213 0.417844
H 1.585577 -2.074043 -1.386313
H 4.595904 0.803608 1.663387
H 4.888402 -0.581192 0.574671
H 4.461192 -0.854898 2.288083
H 2.073644 0.068405 3.110732
H 0.823627 0.381294 1.867961
H 2.148995 1.559702 2.131193
H -0.695911 -1.555397 -2.231173
H -0.741755 -2.960428 -1.133881
H 1.315905 1.491280 -2.540766
H 2.144010 3.078950 -2.438609
H 3.081830 1.607274 -2.825630
H 3.927621 2.567672 0.793287
H 3.823672 3.502518 -0.716963
H 4.702297 1.950036 -0.697723
H -1.542142 -1.446095 0.742196
H -1.524460 -0.068139 -0.379947
H -3.244036 -1.234870 -1.838723
H -3.217192 -2.636730 -0.746351
H -4.093382 -1.180174 1.138663
H -5.208718 -1.319210 -0.237213
H -3.373597 1.102436 0.345448
H -4.391481 0.935639 -1.100039
H -5.429127 0.953097 1.815023
H -6.448423 0.798962 0.370513
H -5.692596 3.102799 -0.414559
H -6.447655 3.189124 1.203753
H -4.668776 3.258395 1.039844


