%chk=000012745.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012745

0 1
 O   -6.995700     -0.6958000     -0.4535000    
 O   -5.543000      0.8673000      0.3209000    
 C   0.1998000      -2.669400      2.8000001E-02
 C    1.624700      -2.232000      0.3850000    
 C  -0.8519000      -1.592900      0.3070000    
 C    2.733400      -3.234100      4.7300000E-02
 C   -2.268900      -2.007100     -0.1038000    
 C    2.674800       1.839500     -0.3094000    
 C    1.825200       3.020700      0.1660000    
 C    4.170500       2.128700     -0.1375000    
 C    4.138500      -2.720400      0.3707000    
 C   -3.307500     -0.8997000      0.1064000    
 C   0.3227000       2.814000     -4.7499999E-02
 C    5.060800      0.9600000     -0.5729000    
 C    4.438200      -1.462600     -0.3926000    
 C  -0.5215000       4.022100      0.3604000    
 C    4.776700     -0.3022000      0.1884000    
 C   -4.716000      -1.339600     -0.2969000    
 C   -2.004100       3.761700      0.1410000    
 C   -5.756700     -0.2583000     -0.1068000    
 H  -4.9400002E-02  -3.577200      0.5904000    
 H   0.1666000      -2.936200      -1.035400    
 H    1.813200      -1.292300     -0.1453000    
 H    1.667400      -2.000400       1.456700    
 H  -0.5783000     -0.6777000     -0.2328000    
 H  -0.8425000      -1.344500       1.375300    
 H    2.673200      -3.492100      -1.017800    
 H    2.559300      -4.162900      0.6038000    
 H   -2.266300      -2.298200      -1.161500    
 H   -2.562900      -2.895000      0.4693000    
 H    2.460400       1.626900      -1.363500    
 H    2.386100      0.9561000      0.2689000    
 H    2.137500       3.925800     -0.3701000    
 H    2.015900       3.202000       1.231000    
 H    4.442000       3.015100     -0.7238000    
 H    4.376400       2.369900      0.9132000    
 H    4.874600      -3.484200      9.4899997E-02
 H    4.231400      -2.559700       1.451400    
 H   -3.307700     -0.5944000       1.160200    
 H   -3.019900     -1.4100000E-02 -0.4741000    
 H  -5.0000002E-04   1.934200      0.5230000    
 H   0.1390000       2.588600      -1.105500    
 H    4.942700      0.7997000      -1.651500    
 H    6.109600       1.234500     -0.4086000    
 H    4.372400      -1.517900      -1.476500    
 H  -0.3480000       4.255400       1.417200    
 H  -0.2182000       4.900400     -0.2208000    
 H    4.855100     -0.2497000       1.271500    
 H   -5.015000      -2.204300      0.3062000    
 H   -4.721000      -1.627700      -1.354100    
 H   -2.344100       2.905300      0.7322000    
 H   -2.214500       3.556000     -0.9135000    
 H   -2.590700       4.635800      0.4404000    
 H   -7.677500     -2.6000000E-03 -0.3235000    


%chk=000012745-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012745

0 1
O -6.927606 -0.320247 -0.085441
O -5.275022 1.205141 0.485139
C 0.247993 -2.729334 -0.020742
C 1.675694 -2.367673 0.445813
C -0.804188 -1.714633 0.481043
C 2.780373 -3.279108 -0.131091
C -2.235435 -1.980424 -0.035117
C 2.673021 1.916098 -0.374445
C 1.680751 2.994822 0.115748
C 4.120303 2.146956 0.114337
C 4.215510 -2.797402 0.234544
C -3.220636 -0.866182 0.380223
C 0.228589 2.754668 -0.357536
C 5.116113 1.037965 -0.333655
C 4.555832 -1.458092 -0.389736
C -0.764014 3.834208 0.132708
C 4.821913 -0.311884 0.290593
C -4.652250 -1.117336 -0.130228
C -2.213090 3.592616 -0.342986
C -5.587898 0.046080 0.133989
H -0.017991 -3.750446 0.324195
H 0.224615 -2.758479 -1.130593
H 1.891795 -1.320443 0.153534
H 1.721025 -2.393777 1.555088
H -0.492992 -0.695931 0.165754
H -0.808228 -1.705498 1.591026
H 2.683533 -3.318085 -1.236314
H 2.640724 -4.317146 0.233600
H -2.214713 -2.059382 -1.142571
H -2.591551 -2.962002 0.341727
H 2.662589 1.882987 -1.484536
H 2.329001 0.918931 -0.032655
H 2.018618 3.993519 -0.233631
H 1.701373 3.032308 1.225423
H 4.482606 3.127069 -0.258326
H 4.126116 2.213010 1.222574
H 4.942288 -3.563443 -0.107266
H 4.312534 -2.731709 1.336673
H -3.234396 -0.770202 1.483616
H -2.863938 0.107584 -0.006861
H -0.112887 1.758141 -0.003718
H 0.204595 2.714152 -1.467102
H 5.099334 0.950013 -1.438470
H 6.141868 1.358018 -0.053381
H 4.551294 -1.427760 -1.492340
H -0.738998 3.873847 1.241103
H -0.418296 4.827823 -0.220466
H 4.813780 -0.338135 1.393445
H -5.093550 -2.028738 0.314722
H -4.646925 -1.291406 -1.225981
H -2.617673 2.639591 0.046563
H -2.264609 3.553748 -1.448117
H -2.890265 4.397708 -0.003139
H -7.510330 0.472396 0.070768


