%chk=000003112.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003112

0 1
 O   -6.525800       1.448000      0.5496000    
 O    2.207900      -3.867100     -0.3082000    
 O   -2.108900      -4.126800       1.949400    
 O   -4.602400       1.287200       1.753400    
 O    2.843700      -2.562300      -2.059800    
 O   -3.028100      -4.059100     -0.1268000    
 O    3.751700       2.582400       2.260600    
 O    4.166200      0.4388000       2.887000    
 N  -0.8620000       2.041100     -0.4017000    
 N    1.881800       1.701700      -1.827700    
 C  -0.8039000      0.5606000     -0.3765000    
 C   -2.234500      0.1175000     -0.4877000    
 C   7.8299999E-02  8.9100003E-02  -1.524900    
 C    1.475100      0.5671000      -1.331400    
 C   -3.061500       1.164100     -0.5710000    
 C    2.449900     -0.2327000     -0.5733000    
 C   -2.586200      -1.329600     -0.4637000    
 C    3.546700      0.5270000     -0.6358000    
 C   -2.133400       2.303800     -0.5134000    
 C    3.295800       1.781100      -1.408700    
 C   -4.531000       1.272700     -0.6888000    
 C    4.891500      0.2671000     -5.5500001E-02
 C    2.172200      -1.540900      5.5799998E-02
 C   -2.136700      -2.022300      0.8177000    
 C   -2.637600       3.712600     -0.5840000    
 C    5.312300       1.328600      0.9555000    
 C   -5.177700       1.334500      0.6764000    
 C    2.454600      -2.672400     -0.9067000    
 C   -2.469200      -3.494900      0.8052000    
 C    4.371300       1.383100       2.134900    
 H  -0.3869000      0.2634000      0.5926000    
 H  -0.2873000      0.4804000      -2.483500    
 H   7.0600003E-02  -1.001800      -1.613400    
 H   -2.138700      -1.823700      -1.334900    
 H   -3.669100      -1.462100     -0.5773000    
 H    3.939900       1.838900      -2.292100    
 H    3.437300       2.676400     -0.7963000    
 H   -4.812400       2.164100      -1.258100    
 H   -4.933400      0.4011000      -1.216500    
 H    5.628300      0.2347000     -0.8673000    
 H    4.920100     -0.7197000      0.4216000    
 H    1.137900      -1.609200      0.3973000    
 H    2.815800      -1.676900      0.9322000    
 H   -2.634200      -1.568400       1.682500    
 H   -1.054300      -1.938800      0.9491000    
 H   -1.823900       4.414100     -0.3785000    
 H   -3.427300       3.868900      0.1555000    
 H   -3.028600       3.911300      -1.585600    
 H    5.377800       2.318000      0.4888000    
 H    6.313000       1.107400       1.344500    
 H   -6.972700       1.488100       1.422000    
 H    2.380600      -4.620700     -0.9119000    
 H   -2.342600      -5.079400       1.930900    
 H    3.133100       2.597100       3.021700    


%chk=000003112-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000003112

0 1
O -5.770905 1.926668 1.247981
O 0.634855 -2.658732 1.221812
O -1.381048 -4.365642 0.620752
O -5.194782 -0.317292 1.370076
O 1.334604 -2.715551 -0.989810
O -3.522337 -4.467683 -0.266365
O 4.856605 2.885564 2.526848
O 4.077090 0.700206 2.548885
N -0.929535 1.965445 -0.233536
N 2.175815 1.428941 -2.388539
C -0.779425 0.498589 -0.481035
C -2.192878 -0.055244 -0.660832
C 0.130291 0.238854 -1.720306
C 1.592455 0.579624 -1.551205
C -3.056163 1.011308 -0.552886
C 2.547183 -0.017480 -0.559580
C -2.502888 -1.512228 -0.875627
C 3.785195 0.521956 -0.831614
C -2.229228 2.226947 -0.289998
C 3.611498 1.469315 -2.006190
C -4.570944 0.995866 -0.638488
C 5.113001 0.273993 -0.160396
C 2.209100 -0.975842 0.557455
C -2.633311 -2.282034 0.491142
C -2.783613 3.615150 -0.114840
C 5.584508 1.454086 0.732054
C -5.193004 0.759869 0.733996
C 1.377086 -2.185218 0.147121
C -2.627050 -3.770317 0.242925
C 4.755393 1.593906 1.995925
H -0.313321 0.060554 0.424791
H -0.254051 0.831558 -2.567723
H 0.062467 -0.832394 -1.989159
H -1.697898 -1.979103 -1.474442
H -3.447636 -1.646246 -1.434411
H 4.225455 1.168759 -2.879299
H 3.889868 2.516169 -1.769731
H -4.952618 1.944937 -1.047185
H -4.905319 0.169562 -1.291620
H 5.890601 0.105563 -0.931239
H 5.073056 -0.639313 0.460362
H 1.683598 -0.460747 1.382460
H 3.136261 -1.354868 1.027240
H -3.588515 -1.992741 0.962594
H -1.806013 -2.006633 1.163182
H -1.970984 4.309280 0.149206
H -3.561665 3.642584 0.670499
H -3.257505 3.972410 -1.049799
H 5.570760 2.414708 0.189280
H 6.633954 1.289834 1.049700
H -6.146854 1.741839 2.152262
H 0.022466 -3.425354 0.959382
H -1.383305 -5.331878 0.385201
H 4.322729 2.941694 3.365922


