%chk=000005101.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005101

0 1
 O   -3.320900      -2.323400     -0.6535000    
 O   -1.496800       1.002400       1.611000    
 O    1.176300      0.8764000       2.568600    
 O   0.7757000       3.464000      5.3100001E-02
 O  -0.8017000       2.755800      -1.983200    
 O    3.308400     -0.6098000      -2.300900    
 O    4.156800      -1.794400      6.4199999E-02
 C   -3.298200     -0.3783000      0.7716000    
 C   -3.916800      -1.021900     -0.4845000    
 C   -2.810800      -1.604600       1.532700    
 C   -2.213600      0.6472000      0.4908000    
 C   0.1178000       2.206400      0.1772000    
 C  -0.6412000       2.146300       1.502500    
 C   -2.431500      -2.589300      0.4400000    
 C   -2.020800       1.144600     -0.7457000    
 C  -0.8987000       2.102600     -0.9459000    
 C   -3.727900     -0.2565000      -1.757500    
 C    1.194300       1.146100      0.1334000    
 C   0.3645000       2.054300       2.647300    
 C   -2.852700      0.7515000      -1.860300    
 C   -1.020100      -2.452600     -3.3399999E-02
 C    1.655800      0.5613000       1.323300    
 C    1.778800      0.7465000      -1.079500    
 C   4.8200000E-02  -2.746300      0.9778000    
 C    2.641100     -0.4309000       1.291700    
 C    2.768800     -0.2371000      -1.106700    
 C  -0.7260000      -2.088700      -1.290400    
 C    3.195800     -0.8295000      7.7900000E-02
 C    4.458900      0.1071000      -2.744100    
 C    4.536500      -2.349300       1.322200    
 H   -4.076200      0.1399000       1.347500    
 H   -4.989000      -1.182400     -0.3189000    
 H   -2.029000      -1.408500       2.271000    
 H   -3.664400      -2.018600       2.086900    
 H   -1.257500       3.044000       1.644600    
 H   -2.600200      -3.621300      0.7674000    
 H   -4.316100     -0.5462000      -2.623100    
 H    1.019500       2.932600       2.687700    
 H  -0.1681000       1.995900       3.603000    
 H   -2.744000       1.271100      -2.806400    
 H   0.1207000       4.165900      0.2080000    
 H    1.463000       1.199500      -2.016200    
 H   8.6700000E-02  -1.975200       1.750600    
 H  -0.1458000      -3.709100       1.462700    
 H    1.035700      -2.821600      0.5137000    
 H    2.934200     -0.8496000       2.249100    
 H   0.3087000      -2.005100      -1.607200    
 H   -1.462000      -1.903000      -2.060700    
 H    4.773900     -0.3105000      -3.704300    
 H    5.280200     -1.7000000E-03  -2.028700    
 H    4.220100       1.166100      -2.884200    
 H    3.700900      -2.869800       1.802500    
 H    4.990400      -1.596000       1.975100    
 H    5.306600      -3.101800       1.122800    


%chk=000005101-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005101

0 1
O -3.431891 -2.349238 -0.710342
O -1.588368 0.935724 1.661523
O 1.168717 0.930733 2.664278
O 0.545986 3.681529 0.285535
O -0.776111 2.868349 -1.936808
O 3.243738 -0.353545 -2.418912
O 4.319743 -1.543790 -0.089732
C -3.381565 -0.389745 0.763325
C -4.029732 -0.974855 -0.524478
C -2.924931 -1.665796 1.537308
C -2.274418 0.605042 0.507457
C 0.024276 2.304064 0.284090
C -0.729397 2.163241 1.621241
C -2.505016 -2.646903 0.408903
C -2.053729 1.197734 -0.729848
C -0.972946 2.160609 -0.894448
C -3.832694 -0.166236 -1.785711
C 1.148704 1.275939 0.195172
C 0.244595 2.070219 2.788433
C -2.905015 0.828206 -1.867873
C -1.032749 -2.557737 -0.000593
C 1.670219 0.680004 1.369729
C 1.743261 0.928183 -1.042971
C -0.039968 -2.966450 1.074594
C 2.732388 -0.248581 1.310866
C 2.799025 0.007531 -1.132665
C -0.657185 -2.193199 -1.252191
C 3.293835 -0.601107 0.067112
C 4.681724 -0.164081 -2.704101
C 4.791662 -2.235828 1.113701
H -4.144951 0.144136 1.363613
H -5.108358 -1.147808 -0.342026
H -2.122736 -1.445918 2.258036
H -3.790360 -2.077693 2.085673
H -1.399482 3.035730 1.744460
H -2.724103 -3.691028 0.713216
H -4.436568 -0.445788 -2.655236
H 0.822638 3.013712 2.821547
H -0.280174 1.908079 3.742530
H -2.738257 1.382491 -2.797945
H 0.488440 3.985348 -0.666537
H 1.374124 1.364279 -1.976902
H -0.023728 -2.247685 1.917174
H -0.295069 -3.958844 1.497993
H 0.982348 -3.018113 0.664074
H 3.086580 -0.680466 2.250358
H 0.398787 -2.149691 -1.542123
H -1.407262 -1.936518 -2.006417
H 4.804215 -0.459688 -3.757234
H 5.301187 -0.800777 -2.050365
H 4.962836 0.899755 -2.577724
H 3.966337 -2.785225 1.605996
H 5.248357 -1.527701 1.831649
H 5.551339 -2.946102 0.756196


