%chk=000157667.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157667

0 1
 O    11.29920       1.529300     -0.9329000    
 O    10.61330       1.179900       1.208000    
 C   -5.401000     -0.3967000     -0.3161000    
 C   -4.060300      6.0000003E-04  0.3063000    
 C   -6.592600      0.3791000      0.2543000    
 C   -2.910800     -0.8123000     -0.2933000    
 C   -7.965400      4.9999999E-03 -0.3150000    
 C   -1.538600     -0.4390000      0.2755000    
 C   -9.107300      0.8550000      0.2470000    
 C  -0.3483000      -1.235800     -0.2682000    
 C   -10.48760      0.4283000     -0.2639000    
 C   0.9870000     -0.8564000      0.3762000    
 C   -11.67690       1.185800      0.3316000    
 C    2.122100      -1.745000     -0.1394000    
 C   -13.01840      0.7617000     -0.2447000    
 C    3.438400      -1.353400      0.4686000    
 C    4.490700     -0.9325000     -0.2484000    
 C    5.754500     -0.5554000      0.3442000    
 C    6.802400     -0.1353000     -0.3816000    
 C    8.078200      0.2829000      0.1607000    
 C    9.119600      0.7012000     -0.5732000    
 C    10.40190       1.152900      4.1000000E-03
 H   -5.360200     -0.2380000      -1.400800    
 H   -5.569500      -1.469400     -0.1596000    
 H   -4.095900     -0.1577000       1.390700    
 H   -3.881300       1.069500      0.1403000    
 H   -6.422900       1.450100      8.5199997E-02
 H   -6.615600      0.2385000       1.342600    
 H   -2.892900     -0.6710000      -1.381000    
 H   -3.090900      -1.879800     -0.1161000    
 H   -7.943000      0.1100000      -1.406600    
 H   -8.159900      -1.053400     -0.1027000    
 H   -1.359300      0.6278000      9.0300001E-02
 H   -1.570700     -0.5610000       1.365800    
 H   -9.098900      0.7876000       1.341900    
 H   -8.938100       1.908400     -6.8000001E-03
 H  -0.2849000      -1.088900      -1.353300    
 H  -0.5373000      -2.304100     -0.1044000    
 H   -10.50550      0.5423000      -1.355300    
 H   -10.62290     -0.6422000     -6.3299999E-02
 H    1.207100      0.1970000      0.1621000    
 H   0.9078000     -0.9526000       1.466400    
 H   -11.69200       1.037700       1.417900    
 H   -11.54200       2.260300      0.1596000    
 H    1.919100      -2.791900      0.1163000    
 H    2.167100      -1.687600      -1.233800    
 H   -13.82900       1.334100      0.2170000    
 H   -13.20340     -0.3013000     -6.0699999E-02
 H   -13.05130      0.9341000      -1.325000    
 H    3.516100      -1.432300       1.550800    
 H    4.406400     -0.8615000      -1.330100    
 H    5.833300     -0.6098000       1.427400    
 H    6.710700     -8.3899997E-02  -1.465400    
 H    8.166500      0.2558000       1.244700    
 H    9.045800      0.7357000      -1.657100    
 H    12.14460       1.827400     -0.5345000    


%chk=000157667-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000157667

0 1
O 11.632459 1.352447 -0.579523
O 10.743830 0.958917 1.538588
C -5.496825 -0.422728 -0.288000
C -4.111185 0.062247 0.194822
C -6.664676 0.443423 0.235562
C -2.942674 -0.807488 -0.321212
C -8.052112 -0.046563 -0.236909
C -1.560152 -0.331994 0.180252
C -9.219533 0.817042 0.292147
C -0.391547 -1.205887 -0.328183
C -10.608025 0.324203 -0.174357
C 0.984078 -0.747793 0.206058
C -11.775145 1.187152 0.357660
C 2.153727 -1.633232 -0.311422
C -13.158832 0.684675 -0.108578
C 3.482581 -1.256859 0.291553
C 4.593464 -0.861871 -0.410312
C 5.852376 -0.498703 0.213331
C 6.984953 -0.106645 -0.473628
C 8.222109 0.245174 0.184065
C 9.370498 0.639248 -0.464644
C 10.583679 0.977220 0.288920
H -5.516081 -0.432108 -1.398071
H -5.648824 -1.474418 0.033830
H -4.095437 0.074445 1.304972
H -3.957167 1.112909 -0.129010
H -6.516519 1.494230 -0.090817
H -6.640767 0.457372 1.345585
H -2.949870 -0.810786 -1.431385
H -3.103618 -1.859932 -0.006444
H -8.078457 -0.058137 -1.346840
H -8.198896 -1.098173 0.087650
H -1.397015 0.719663 -0.135017
H -1.557369 -0.327205 1.290488
H -9.190628 0.831140 1.402083
H -9.075074 1.868192 -0.034993
H -0.378853 -1.194098 -1.438021
H -0.566147 -2.261078 -0.030088
H -10.639724 0.311088 -1.284185
H -10.753539 -0.727004 0.152279
H 1.169206 0.305244 -0.084910
H 0.972489 -0.769957 1.315336
H -11.740133 1.202007 1.466391
H -11.631152 2.236676 0.028689
H 1.919383 -2.689234 -0.054846
H 2.204363 -1.577008 -1.416101
H -13.975164 1.317914 0.285342
H -13.339570 -0.351835 0.234086
H -13.230384 0.688935 -1.212778
H 3.544396 -1.297164 1.391837
H 4.542106 -0.814844 -1.508563
H 5.896089 -0.544384 1.312810
H 6.955748 -0.057318 -1.571997
H 8.254676 0.195998 1.282984
H 9.424390 0.715222 -1.555514
H 12.431693 1.571464 -0.028676


