%chk=000025111.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025111

0 1
 O    3.566400     -0.4194000      0.1763000    
 O   -4.138300       1.811700      1.4600000E-02
 O    3.230100      -2.696100      0.1226000    
 O   -3.693400      -2.052600     -0.7959000    
 N    7.107400      0.6020000      0.1116000    
 N   -2.681600     -0.2789000      0.3693000    
 C    5.652700      0.7500000      0.1438000    
 C    7.521400     -0.1197000      -1.091000    
 C    7.755700       1.911600      0.1705000    
 C    4.974300     -0.6104000      0.1267000    
 C    9.025000     -0.3364000      -1.111000    
 C    7.336900       2.676100       1.414800    
 C    1.363100      -1.216600      0.2215000    
 C    2.808600      -1.550800      0.1682000    
 C   -1.323500     -0.5943000      0.3197000    
 C   0.4587000      -2.067800     -0.3799000    
 C   0.9686000     -6.4599998E-02  0.8705000    
 C  -0.8994000      -1.753200     -0.3304000    
 C  -0.3896000      0.2499000      0.9204000    
 C   -5.095600     -0.3871000      2.3300000E-02
 C   -3.754900     -0.9989000     -0.1716000    
 C   -5.217800      0.9846000      0.1064000    
 C   -6.185300      -1.229200      0.1169000    
 C   -6.484300       1.539000      0.2916000    
 C   -7.451900     -0.6749000      0.3019000    
 C   -7.601300      0.7092000      0.3894000    
 C   -4.140700       2.763800      -1.047000    
 C   -2.711300       3.053000      -1.453100    
 H    5.284100       1.361000     -0.6914000    
 H    5.311500       1.243100       1.060700    
 H    7.106400      -1.130700      -1.111700    
 H    7.205000      0.3908000      -2.009200    
 H    8.842500       1.800500      0.2437000    
 H    7.543300       2.515300     -0.7209000    
 H    5.172100      -1.161400     -0.7963000    
 H    5.292600      -1.210900      0.9876000    
 H    9.576300      0.5777000      -1.352100    
 H    9.391500     -0.7327000     -0.1578000    
 H    9.280700      -1.066800      -1.887200    
 H    6.327100       3.090100       1.333000    
 H    7.398500       2.055400       2.315400    
 H    8.009100       3.529100       1.562600    
 H   0.7784000      -2.970800     -0.8917000    
 H    1.674100      0.6023000       1.356900    
 H   -1.559400      -2.455600     -0.8193000    
 H  -0.7064000       1.155400       1.431900    
 H   -2.895500      0.5729000      0.8820000    
 H   -6.086900      -2.309100      5.8300000E-02
 H   -6.616000       2.614700      0.3707000    
 H   -8.321500      -1.320800      0.3802000    
 H   -8.587200       1.140600      0.5360000    
 H   -4.621000       3.684300     -0.6979000    
 H   -4.692300       2.383700      -1.915800    
 H   -2.217000       2.139300      -1.799500    
 H   -2.134200       3.421900     -0.5987000    
 H   -2.674800       3.798000      -2.252700    


%chk=000025111-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000025111

0 1
O 3.689661 -0.276452 0.151152
O -4.367292 1.683572 -0.471499
O 3.400977 -2.522554 0.706937
O -3.723986 -2.400186 0.573026
N 7.290428 0.695779 -0.182942
N -2.728707 -0.336422 0.061802
C 5.814952 0.847256 -0.153252
C 7.791295 0.185826 -1.488637
C 8.022932 1.893087 0.305712
C 5.162694 -0.484749 0.236413
C 9.116664 -0.589872 -1.363986
C 7.954223 2.051825 1.836535
C 1.447588 -1.111117 0.322619
C 2.900106 -1.405009 0.420268
C -1.356221 -0.655078 0.162265
C 0.525063 -2.159924 0.573687
C 0.951654 0.177361 -0.012389
C -0.862519 -1.948867 0.498166
C -0.430704 0.400742 -0.091526
C -5.191181 -0.534878 0.085334
C -3.827337 -1.171453 0.260768
C -5.469536 0.824841 -0.263472
C -6.296477 -1.399184 0.295619
C -6.803535 1.280410 -0.392039
C -7.626529 -0.955487 0.170870
C -7.877227 0.390883 -0.174875
C -4.603365 3.100090 -0.828174
C -3.234033 3.758511 -0.975848
H 5.401327 1.191954 -1.130548
H 5.537120 1.608625 0.596606
H 7.023784 -0.495869 -1.900591
H 7.904999 1.015511 -2.232008
H 9.082375 1.780045 0.012204
H 7.656310 2.828379 -0.189522
H 5.448137 -1.308149 -0.443106
H 5.434100 -0.778960 1.264877
H 9.932464 0.045732 -0.974447
H 8.992423 -1.442963 -0.674847
H 9.434298 -0.973210 -2.351757
H 6.915222 2.180389 2.191141
H 8.372458 1.156799 2.328806
H 8.530073 2.939049 2.160412
H 0.920061 -3.148452 0.830644
H 1.659031 0.988066 -0.206483
H -1.571983 -2.754383 0.691674
H -0.808371 1.397956 -0.350603
H -2.969801 0.636031 -0.188166
H -6.059613 -2.434626 0.561736
H -7.015427 2.318989 -0.659260
H -8.456240 -1.648482 0.340562
H -8.905303 0.755315 -0.277063
H -5.196964 3.578269 -0.024460
H -5.175818 3.141143 -1.775603
H -2.646426 3.272897 -1.774110
H -2.666824 3.704824 -0.030508
H -3.359998 4.823470 -1.241218


