%chk=000145898.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145898

0 1
 O   -2.978100      -1.097100       1.754600    
 O   -5.003600      0.3120000      0.6463000    
 O   -5.969200      -1.924400     -0.4874000    
 O    6.578200     -0.6918000     -0.6856000    
 C   -1.812700      3.8199998E-02  5.2000000E-03
 C  -0.8550000       1.176700     -0.4090000    
 C   0.5271000       1.050100      0.2347000    
 C    1.164300     -0.3006000     -0.2060000    
 C   -3.082100      0.4941000     -0.7477000    
 C   -1.210300      -1.284100     -0.4881000    
 C   -1.676700       2.436900     -0.1623000    
 C   0.2153000      -1.499100      5.0900001E-02
 C   -3.106100       2.025600     -0.5595000    
 C    2.566900     -0.4983000      0.4464000    
 C    1.449900       2.211900     -0.1535000    
 C   -2.070600     -4.3699998E-02   1.532600    
 C    2.812600       2.064600      0.5146000    
 C    3.448800      0.7257000      0.2341000    
 C    3.233300      -1.783100     -8.7300003E-02
 C   -4.346400     -0.1582000     -0.2811000    
 C    4.710300      -1.861500      0.2571000    
 C    4.737000      0.6642000     -0.1394000    
 C   -4.760400      -1.417500      -1.012300    
 C    5.427600     -0.6406000     -0.2569000    
 H  -0.7008000       1.122600      -1.500100    
 H   0.4256000       1.060100       1.327000    
 H    1.311400     -0.2495000      -1.296400    
 H   -2.978800      0.2971000      -1.823800    
 H   -1.161600      -1.278400      -1.585400    
 H   -1.827500      -2.148300     -0.2253000    
 H   -1.326200       3.282000     -0.7636000    
 H   -1.641200       2.741500      0.8894000    
 H   0.1788000      -1.717000       1.124400    
 H   0.6145000      -2.399000     -0.4307000    
 H   -3.815500       2.373300      0.1985000    
 H   -3.391900       2.508500      -1.501600    
 H    2.431800     -0.6100000       1.531600    
 H    1.009200       3.166800      0.1551000    
 H    1.571600       2.252800      -1.243600    
 H   -2.521200      0.8717000       1.927200    
 H   -1.168500     -0.2302000       2.121100    
 H    2.695500       2.169600       1.600900    
 H    3.457300       2.890000      0.1889000    
 H    3.121900      -1.831500      -1.179000    
 H    2.732600      -2.666800      0.3245000    
 H    5.147200      -2.750100     -0.2112000    
 H    4.864900      -1.929400       1.339300    
 H    5.335900       1.554400     -0.2969000    
 H   -2.470800      -1.923900       1.816800    
 H   -3.993200      -2.183900     -0.8942000    
 H   -4.900200      -1.199000      -2.074700    
 H   -6.666100      -1.272900     -0.6761000    


%chk=000145898-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000145898

0 1
O -2.916941 -1.285990 1.767846
O -5.200615 0.421584 0.493662
O -6.092744 -1.941728 -0.405488
O 6.737312 -0.735736 -0.534459
C -1.835816 0.032528 -0.080388
C -0.863429 1.213321 -0.412543
C 0.529635 1.069505 0.233918
C 1.175027 -0.276079 -0.226691
C -3.138395 0.528183 -0.833710
C -1.189907 -1.268115 -0.611837
C -1.705937 2.480458 -0.144466
C 0.223564 -1.484257 -0.004076
C -3.131678 2.087094 -0.649260
C 2.576552 -0.508128 0.436782
C 1.461422 2.247672 -0.124998
C -2.136372 -0.078775 1.443990
C 2.850292 2.073037 0.534054
C 3.475989 0.717732 0.260781
C 3.251005 -1.797648 -0.104203
C -4.439937 -0.113551 -0.362508
C 4.741516 -1.906428 0.278031
C 4.800693 0.612960 -0.080354
C -4.868592 -1.442443 -0.986945
C 5.523813 -0.672426 -0.168899
H -0.702080 1.163852 -1.514921
H 0.426338 1.052694 1.341560
H 1.346944 -0.186062 -1.324240
H -3.001526 0.265744 -1.903515
H -1.096895 -1.191834 -1.714378
H -1.822017 -2.156719 -0.418362
H -1.313661 3.366929 -0.672320
H -1.718398 2.724295 0.935277
H 0.149299 -1.689300 1.085647
H 0.659441 -2.392582 -0.458319
H -3.916956 2.378805 0.068534
H -3.364991 2.580938 -1.609022
H 2.398101 -0.631248 1.531818
H 1.017750 3.204410 0.208500
H 1.572056 2.305976 -1.227249
H -2.783005 0.748203 1.776535
H -1.204540 -0.056721 2.040436
H 2.720258 2.174421 1.634255
H 3.539142 2.879434 0.223351
H 3.161653 -1.803471 -1.209928
H 2.715420 -2.689794 0.267295
H 5.211743 -2.805004 -0.157989
H 4.844758 -1.988500 1.380464
H 5.406668 1.513057 -0.247740
H -2.327924 -2.079708 1.712024
H -4.049737 -2.179368 -0.857280
H -5.011688 -1.286596 -2.078479
H -6.347813 -1.294120 0.312306


