%chk=000173380.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173380

0 1
 O   -5.351700      0.1748000      0.8059000    
 O    3.327800     -0.8537000       2.372000    
 O   -6.301300      -2.070800     -0.3232000    
 O    6.139800     -0.3725000      -1.351200    
 C   -2.180700     -7.4000000E-03  4.4300001E-02
 C   -1.268600       1.161700     -0.3872000    
 C   0.1395000       1.065100      0.2065000    
 C   0.7938000     -0.2682000     -0.2731000    
 C   -3.488500      0.4253000     -0.6550000    
 C   -1.564300      -1.307100     -0.4909000    
 C   -2.113500       2.396500     -9.3199998E-02
 C  -0.1168000      -1.497100     -2.4999999E-03
 C    2.264400     -0.4483000      0.2407000    
 C   -3.545000       1.952900     -0.4446000    
 C    1.015000       2.256000     -0.2015000    
 C   -2.379800     -0.1174000       1.578600    
 C    3.075200      0.8228000      1.2800000E-02
 C    2.414800       2.129600      0.3893000    
 C    2.909000      -1.671700     -0.4600000    
 C   -4.717600     -0.2659000     -0.1517000    
 C    2.293800     -0.6835000       1.734700    
 C    4.427300      -1.716100     -0.3560000    
 C    4.316000      0.8378000     -0.5013000    
 C    5.037700     -0.4170000     -0.8083000    
 C   -5.126200      -1.525700     -0.8850000    
 H   -1.152700       1.126300      -1.483700    
 H   7.2800003E-02   1.070500       1.300300    
 H   0.8601000     -0.1902000      -1.371000    
 H   -3.420000      0.2453000      -1.736900    
 H   -1.565400      -1.301200      -1.588600    
 H   -2.156800      -2.175700     -0.1836000    
 H   -1.806800       3.258900     -0.6935000    
 H   -2.048300       2.686200      0.9614000    
 H  -0.1311000      -1.747300       1.062500    
 H   0.2878000      -2.377900     -0.5140000    
 H   -4.235500       2.272300      0.3428000    
 H   -3.876800       2.440400      -1.369100    
 H   0.5681000       3.192600      0.1513000    
 H    1.077600       2.324100      -1.295200    
 H   -3.002100     -0.9847000       1.828000    
 H   -1.438300     -0.2481000       2.118400    
 H   -2.867100      0.7660000       2.003000    
 H    2.357700       2.195000       1.483200    
 H    3.013200       2.988100      6.0400002E-02
 H    2.645400      -1.659900      -1.526600    
 H    2.513200      -2.608000     -4.7200002E-02
 H    1.330100     -0.6672000       2.267700    
 H    4.801300      -2.516100      -1.005400    
 H    4.769100      -1.930600      0.6604000    
 H    4.854200       1.763900     -0.6736000    
 H   -4.335500      -2.272800     -0.8043000    
 H   -5.310200      -1.297500      -1.938500    
 H   -7.021200      -1.435500     -0.4772000    


%chk=000173380-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173380

0 1
O -5.476079 0.070816 0.764452
O 2.023888 0.071322 2.650791
O -6.327725 -2.174085 -0.425193
O 6.293081 -0.482483 -1.293407
C -2.198107 0.008306 0.045304
C -1.270623 1.198493 -0.368952
C 0.154887 1.093480 0.211900
C 0.787808 -0.245128 -0.281936
C -3.531846 0.477258 -0.678290
C -1.570630 -1.296596 -0.498748
C -2.117784 2.457885 -0.069713
C -0.118820 -1.474250 0.021790
C 2.285360 -0.459965 0.222907
C -3.582850 2.019904 -0.410615
C 1.037656 2.287006 -0.213934
C -2.423866 -0.084481 1.577637
C 3.109548 0.815732 -0.029208
C 2.474489 2.137607 0.341538
C 2.910592 -1.681402 -0.511122
C -4.774685 -0.265771 -0.234714
C 2.245284 -0.762142 1.742367
C 4.441352 -1.775797 -0.343852
C 4.382580 0.763095 -0.540955
C 5.129706 -0.484824 -0.787596
C -5.205799 -1.498532 -1.035066
H -1.166421 1.132435 -1.478063
H 0.104637 1.090070 1.319213
H 0.873050 -0.158211 -1.390060
H -3.384022 0.283106 -1.761351
H -1.557668 -1.262683 -1.608956
H -2.165623 -2.184331 -0.206017
H -1.799433 3.328906 -0.668627
H -2.028871 2.743922 0.995122
H -0.148528 -1.660451 1.113309
H 0.307306 -2.383062 -0.441478
H -4.274609 2.227366 0.423610
H -3.971125 2.549623 -1.298395
H 0.602307 3.232815 0.158487
H 1.065463 2.353241 -1.321591
H -3.024820 -0.977366 1.828800
H -1.472256 -0.160032 2.129612
H -2.970592 0.789686 1.968529
H 2.416559 2.183851 1.449168
H 3.117572 2.971480 0.006493
H 2.670642 -1.600296 -1.589207
H 2.445504 -2.618423 -0.151047
H 2.409602 -1.840901 2.000561
H 4.860763 -2.619478 -0.918789
H 4.707282 -1.950609 0.719793
H 4.926691 1.692213 -0.753843
H -4.350709 -2.199330 -1.126420
H -5.465856 -1.161621 -2.063596
H -6.621361 -1.600368 0.340462


