%chk=000183479.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183479

0 1
O -0.195808 -2.524058 0.938314
O -1.689623 -3.053948 -0.679092
O 2.563384 1.077893 -1.287177
C -2.252900 -1.417260 1.096469
C -3.702396 -1.951031 1.288024
C -2.215878 -0.098744 0.358426
C -4.529050 -0.942547 2.089640
C -3.681850 -3.314229 1.986427
C -1.424448 -2.415162 0.308610
C -2.661131 -0.005901 -0.968451
C -1.724330 1.045418 1.004245
C -2.619923 1.216403 -1.640564
C -1.681911 2.266827 0.331973
C -2.128495 2.362446 -0.996445
C 0.831713 -3.328566 0.299158
C 1.803571 -2.450132 -0.442265
C -2.066991 3.674548 -1.708554
C 1.677689 -1.056917 -0.434853
C 2.855627 -3.065956 -1.140001
C 2.629009 -0.307862 -1.134043
C 3.785185 -2.287995 -1.837551
C 3.688950 -0.895869 -1.840135
C 2.134163 1.892760 -0.242871
C 2.240517 1.564628 1.112273
C 1.671524 3.144999 -0.684145
C 1.860878 2.528058 2.052172
C 1.308940 4.086961 0.276585
C 1.397516 3.781596 1.642059
H -1.786492 -1.294937 2.111816
H -4.164526 -2.075216 0.275428
H -4.132425 -0.795581 3.099749
H -4.549216 0.039321 1.599068
H -5.567553 -1.276957 2.191622
H -4.700567 -3.669077 2.183352
H -3.161417 -3.278903 2.949250
H -3.194378 -4.078989 1.369204
H -3.027400 -0.897166 -1.482637
H -1.368737 0.985142 2.031821
H -2.964059 1.274530 -2.671504
H -1.286275 3.146964 0.837257
H 1.308583 -3.834540 1.161647
H 0.355783 -4.074620 -0.371564
H -2.672455 4.435701 -1.196920
H -1.033958 4.050560 -1.751481
H -2.430408 3.614538 -2.742517
H 0.848863 -0.577456 0.089352
H 2.948444 -4.149393 -1.147632
H 4.595889 -2.772495 -2.382604
H 4.400580 -0.271151 -2.374493
H 2.617762 0.595613 1.430169
H 1.611311 3.353381 -1.749609
H 1.934923 2.296596 3.114731
H 0.954075 5.068352 -0.037094
H 1.111323 4.524422 2.382464


%chk=000183479-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183479

0 1
O -0.259197 -2.340431 0.294497
O -2.231201 -3.122776 -0.680083
O 3.288866 1.088005 -1.158306
C -2.315920 -1.413212 1.127153
C -3.638896 -1.996692 1.714096
C -2.492678 -0.094100 0.356802
C -4.317782 -0.971420 2.650267
C -3.372856 -3.324664 2.461667
C -1.653135 -2.397731 0.161148
C -3.410773 0.008256 -0.719184
C -1.703641 1.037183 0.678098
C -3.545780 1.216858 -1.435218
C -1.836702 2.242874 -0.044565
C -2.765573 2.356998 -1.110459
C 0.544008 -3.095630 -0.707364
C 1.863042 -2.378796 -0.909416
C -2.926488 3.662021 -1.871277
C 1.929572 -0.965993 -0.868763
C 3.029816 -3.129578 -1.198064
C 3.164211 -0.324955 -1.108909
C 4.250740 -2.469578 -1.463925
C 4.328344 -1.061440 -1.417693
C 2.650258 1.918779 -0.204564
C 2.370332 1.508822 1.120508
C 2.390947 3.242186 -0.626641
C 1.814848 2.443731 2.022875
C 1.839590 4.164807 0.287853
C 1.544798 3.771355 1.615631
H -1.604777 -1.238562 1.956060
H -4.317316 -2.211302 0.864731
H -3.664849 -0.732990 3.512593
H -4.547462 -0.027393 2.126089
H -5.263394 -1.382218 3.049328
H -4.314929 -3.731104 2.872736
H -2.676976 -3.168080 3.308911
H -2.941480 -4.090479 1.792785
H -4.005426 -0.864772 -1.012436
H -0.969662 0.975602 1.490759
H -4.259499 1.273848 -2.266400
H -1.200884 3.097255 0.217820
H 0.696381 -4.121959 -0.328105
H -0.048972 -3.159101 -1.640025
H -3.615014 4.349736 -1.342349
H -1.960478 4.186643 -1.980546
H -3.340900 3.494041 -2.880772
H 1.030970 -0.382625 -0.646187
H 2.984451 -4.224810 -1.219057
H 5.148598 -3.053155 -1.693711
H 5.263251 -0.527343 -1.610126
H 2.590491 0.487273 1.444837
H 2.630064 3.525568 -1.656016
H 1.606161 2.132608 3.052846
H 1.643589 5.192767 -0.037108
H 1.120913 4.490674 2.324280


