%chk=000253110.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253110

0 1
O 0.676688 -2.371546 -1.328600
O 5.131050 -0.770836 0.464675
O -5.078624 -0.418626 1.629587
C 1.838725 0.773986 0.481106
C 0.566266 0.741515 -0.376285
C 2.745598 -0.457871 0.170002
C -0.239930 -0.517447 0.055474
C -1.603400 -0.594852 -0.703491
C 0.585822 -1.830681 -0.006533
C 1.996712 -1.722770 0.611659
C 3.998224 -0.098529 1.033941
C 2.794006 1.976686 0.382921
C -0.257798 2.027093 -0.177428
C 4.140024 1.442162 0.925134
C -1.629861 1.952056 -0.884713
C -2.328539 0.713818 -0.357219
C 3.181562 -0.560013 -1.296599
C -2.431258 -1.830553 -0.259672
C -1.429214 -0.701641 -2.228402
C -3.110513 -1.664208 1.095602
C -3.416034 0.756893 0.425215
C -2.408080 3.254370 -0.689957
C -3.993781 -0.430740 1.087070
H 1.516776 0.706951 1.553955
H 0.832635 0.655354 -1.455811
H -0.496996 -0.385158 1.141053
H 0.012914 -2.643666 0.509762
H 1.918900 -1.763288 1.713184
H 2.577968 -2.623933 0.324013
H 3.895580 -0.433913 2.084599
H 2.431717 2.835721 0.968366
H 2.896981 2.327653 -0.657560
H 0.308540 2.895072 -0.563219
H -0.409605 2.223422 0.901553
H 4.968254 1.697235 0.241261
H 4.385298 1.891409 1.898876
H -1.462620 1.824002 -1.987104
H 2.351245 -0.808028 -1.970876
H 3.632689 0.373486 -1.651373
H 3.955646 -1.336764 -1.405371
H -1.786149 -2.732532 -0.259096
H -3.209848 -2.038748 -1.023676
H -2.386360 -0.596854 -2.750223
H -0.747919 0.056873 -2.626677
H -1.009480 -1.684585 -2.497599
H -2.369703 -1.571710 1.913476
H -3.713644 -2.560888 1.344299
H -3.945211 1.684523 0.648885
H -2.568315 3.486900 0.369695
H -1.875575 4.103615 -1.132634
H -3.394856 3.203465 -1.166989
H 1.254978 -1.804754 -1.899769
H 5.935111 -0.579826 0.981913


%chk=000253110-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253110

0 1
O 0.707525 -2.510105 -1.333864
O 5.124868 -0.906424 0.812917
O -4.931519 -0.463111 1.963964
C 1.869721 0.815764 0.387039
C 0.569584 0.761474 -0.441284
C 2.768433 -0.445156 0.192619
C -0.233277 -0.516596 -0.024657
C -1.629275 -0.593929 -0.779781
C 0.592819 -1.845347 -0.015313
C 1.978283 -1.685833 0.671016
C 3.964296 -0.053523 1.101838
C 2.852016 2.005661 0.213824
C -0.281642 2.038563 -0.221444
C 4.197964 1.469607 0.815998
C -1.710491 1.987271 -0.858732
C -2.361083 0.699104 -0.370552
C 3.290394 -0.604368 -1.263738
C -2.468246 -1.841403 -0.372777
C -1.476385 -0.660123 -2.332154
C -3.067430 -1.766491 1.044959
C -3.433348 0.695968 0.487455
C -2.484229 3.283828 -0.550170
C -3.913451 -0.503433 1.205490
H 1.554499 0.811057 1.457424
H 0.832925 0.707179 -1.517149
H -0.481218 -0.357559 1.051260
H 0.016992 -2.591044 0.561456
H 1.808104 -1.592711 1.764250
H 2.553651 -2.616692 0.511751
H 3.660886 -0.189159 2.164672
H 2.497944 2.916152 0.727792
H 2.971233 2.259708 -0.856652
H 0.255470 2.919428 -0.624135
H -0.403094 2.204766 0.870559
H 5.030153 1.578366 0.096132
H 4.481365 2.013513 1.735402
H -1.581058 1.920826 -1.958336
H 2.480350 -0.541797 -2.016276
H 4.017026 0.184237 -1.523282
H 3.814346 -1.568505 -1.373402
H -1.858887 -2.752827 -0.500370
H -3.305934 -1.927308 -1.093850
H -2.455877 -0.477444 -2.812908
H -0.763044 0.076589 -2.738446
H -1.120867 -1.663711 -2.614998
H -2.267659 -1.739449 1.814633
H -3.695588 -2.646041 1.271159
H -3.957673 1.624561 0.740164
H -2.575860 3.452279 0.538862
H -1.952392 4.152974 -0.978864
H -3.501813 3.263687 -0.980336
H 1.385091 -2.039872 -1.879476
H 5.861999 -0.673303 1.430709


