%chk=000090623.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090623

0 1
 O    8.793300      -1.333200      0.4463000    
 O    7.741100     -0.4081000      -1.385300    
 C   -7.420300     -0.4984000     -0.4621000    
 C   -6.225100      0.4321000     -0.6047000    
 C   -7.648000     -0.9367000      0.9922000    
 C   -4.914700     -0.2858000     -0.2829000    
 C   -3.712100      0.6441000     -0.4601000    
 C   -2.399400     -8.6300001E-02 -0.1687000    
 C   -9.163800      -1.014600       1.176200    
 C   -1.166000      0.8166000     -0.2614000    
 C   -8.722400      0.1573000     -0.8051000    
 C   0.1387000      0.1039000      0.1015000    
 C    1.339600       1.042100     -3.8199998E-02
 C   -9.673200     -0.1298000      8.9100003E-02
 C    2.648700      0.3232000      0.2926000    
 C    3.846000       1.270700      0.1848000    
 C    5.149800      0.5593000      0.5479000    
 C    6.399700       1.440900      0.4333000    
 C    7.709300      0.7239000      0.7654000    
 C    8.053200     -0.3865000     -0.2025000    
 C    9.225700      -2.434800     -0.3584000    
 H   -7.292500      -1.375800      -1.109000    
 H   -6.337300       1.308700      4.6599999E-02
 H   -6.182000      0.8136000      -1.633300    
 H   -7.237100     -0.2036000       1.699300    
 H   -7.167800      -1.897100       1.209600    
 H   -4.802700      -1.156800     -0.9402000    
 H   -4.928900     -0.6590000      0.7477000    
 H   -3.811500       1.503700      0.2137000    
 H   -3.691300       1.035700      -1.484100    
 H   -2.285700     -0.9239000     -0.8679000    
 H   -2.445500     -0.5194000      0.8384000    
 H   -9.459400     -0.6555000       2.166300    
 H   -9.535400      -2.035600       1.042200    
 H   -1.093000       1.214600      -1.281100    
 H   -1.301000       1.677600      0.4052000    
 H   -8.886700      0.7503000      -1.693700    
 H   7.8800000E-02 -0.2707000       1.130400    
 H   0.2727000     -0.7660000     -0.5528000    
 H    1.211700       1.901900      0.6306000    
 H    1.385700       1.432700      -1.062000    
 H   -10.69720      0.2068000      1.7600000E-02
 H    2.786200     -0.5243000     -0.3898000    
 H    2.595200     -8.5199997E-02   1.309200    
 H    3.914300       1.662600     -0.8371000    
 H    3.701700       2.128900      0.8519000    
 H    5.078800      0.1793000       1.574800    
 H    5.263100     -0.3170000     -0.1015000    
 H    6.290500       2.297400       1.109800    
 H    6.456400       1.848600     -0.5836000    
 H    7.635900      0.3079000       1.777100    
 H    8.538500       1.439700      0.7525000    
 H    8.361500      -2.975000     -0.7568000    
 H    9.869000      -2.081500      -1.169900    
 H    9.801900      -3.113700      0.2758000    


%chk=000090623-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090623

0 1
O 9.127849 -1.274642 0.432504
O 7.814176 -0.624883 -1.376335
C -7.574432 -0.480604 -0.481196
C -6.335594 0.446498 -0.566728
C -7.888466 -0.999398 0.964423
C -5.005317 -0.272358 -0.246359
C -3.772679 0.653605 -0.353107
C -2.438873 -0.065213 -0.048739
C -9.446324 -1.034589 1.087279
C -1.204627 0.858261 -0.161313
C -8.885113 0.190764 -0.882046
C 0.127452 0.138869 0.148963
C 1.366301 1.052592 0.010755
C -9.901485 -0.103778 -0.030492
C 2.693872 0.334508 0.342754
C 3.939206 1.231918 0.164020
C 5.260201 0.516127 0.524471
C 6.503792 1.406375 0.303532
C 7.828268 0.725722 0.709086
C 8.211220 -0.428160 -0.205355
C 9.622387 -2.413672 -0.378696
H -7.389763 -1.344533 -1.160264
H -6.477308 1.299124 0.129233
H -6.273299 0.879898 -1.587135
H -7.478869 -0.274948 1.695233
H -7.426808 -1.979669 1.175893
H -4.879795 -1.131646 -0.938721
H -5.051895 -0.700948 0.775896
H -3.895922 1.509220 0.343390
H -3.729304 1.088806 -1.373803
H -2.318486 -0.922621 -0.743650
H -2.480745 -0.497715 0.973100
H -9.798796 -0.712126 2.085586
H -9.846989 -2.057281 0.926333
H -1.160027 1.285702 -1.185117
H -1.326321 1.718952 0.529249
H -8.972783 0.811351 -1.781737
H 0.089270 -0.273544 1.179232
H 0.239375 -0.732449 -0.529846
H 1.249155 1.933617 0.676114
H 1.413836 1.449652 -1.025001
H -10.936085 0.241391 -0.134841
H 2.796140 -0.562384 -0.303207
H 2.656500 -0.038226 1.388092
H 3.989419 1.581519 -0.888265
H 3.829854 2.142198 0.790685
H 5.221803 0.190351 1.585527
H 5.355681 -0.401389 -0.089358
H 6.395939 2.341144 0.889017
H 6.558916 1.696050 -0.763461
H 7.793478 0.353088 1.749124
H 8.662736 1.455311 0.671348
H 8.783164 -3.066073 -0.673287
H 10.128816 -2.046368 -1.287282
H 10.324300 -2.943594 0.280304


