%chk=000047884.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047884

0 1
 O    1.378200     -2.3900000E-02 -0.7200000    
 O   -2.605700      -2.712700     -0.2947000    
 O   -2.686200       1.732800       1.133800    
 O   0.1773000      -2.491900      -1.117100    
 O  -0.4476000       3.243300      -1.613800    
 N    4.779600     -0.3266000      0.6553000    
 N  -2.3800001E-02   2.089100      0.3965000    
 C   7.1400002E-02 -0.2047000     -0.3601000    
 C   -2.601500     -0.5580000      0.3841000    
 C  -0.6488000      0.8514000      0.2039000    
 C   -1.850700      -1.584100     -0.1803000    
 C   -1.988900      0.6916000      0.5826000    
 C  -0.5177000      -1.455700     -0.5666000    
 C    2.362500     -0.3058000      0.2697000    
 C    3.739400     -6.6900000E-02 -0.3289000    
 C   -3.888700      -1.108000      0.6226000    
 C   -3.837800      -2.414100      0.1938000    
 C    6.104700     -5.6400001E-02  9.2299998E-02
 C    4.706500      -1.709100       1.134300    
 C   3.8400002E-02   3.168700     -0.4898000    
 C   -3.383400       2.586300      0.2332000    
 C   0.3141000      -3.670800     -0.3273000    
 C   0.8087000       4.325200      9.6600004E-02
 H    2.227400      -1.346700      0.5785000    
 H    2.207200      0.3424000       1.141100    
 H    3.862500     -0.6847000      -1.228800    
 H    3.790600      0.9755000     -0.6696000    
 H   -4.747600     -0.6134000       1.053700    
 H   0.3686000       2.223100       1.325900    
 H   -4.556600      -3.219900      0.1695000    
 H    6.175300      0.9849000     -0.2418000    
 H    6.332800     -0.7086000     -0.7585000    
 H    6.882100     -0.1936000      0.8522000    
 H    5.581500      -1.944800       1.752600    
 H    4.674900      -2.435800      0.3142000    
 H    3.847700      -1.868000       1.793700    
 H   -3.318000       3.611800      0.6068000    
 H   -2.972900       2.552500     -0.7812000    
 H   -4.436000       2.289900      0.2042000    
 H  -0.5558000      -4.319400     -0.4628000    
 H    1.200700      -4.209600     -0.6740000    
 H   0.4491000      -3.431800      0.7331000    
 H   0.9444000       5.101900     -0.6611000    
 H    1.792600       3.987200      0.4345000    
 H   0.2549000       4.742700      0.9420000    


%chk=000047884-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047884

0 1
O 1.557216 0.111405 -0.193197
O -2.494747 -2.708035 0.539813
O -2.748506 2.060598 0.828500
O 0.497669 -2.554935 -0.072975
O -1.435507 3.437563 -1.330552
N 5.032775 -0.790644 0.874865
N 0.045521 2.275804 0.077922
C 0.193582 -0.144803 0.056956
C -2.571501 -0.386164 0.554079
C -0.630085 1.029194 0.191685
C -1.742719 -1.522243 0.356927
C -2.015511 0.920460 0.474952
C -0.357254 -1.452215 0.095885
C 2.568901 -0.620187 0.628576
C 3.934189 -0.094787 0.165574
C -3.890066 -0.903187 0.894298
C -3.807101 -2.276462 0.869997
C 6.267395 0.015809 0.953630
C 5.297090 -2.146687 0.349316
C -0.364408 3.387352 -0.662225
C -3.901990 2.401461 -0.040534
C -0.035855 -3.696023 -0.849486
C 0.595706 4.574026 -0.583706
H 2.451516 -1.701813 0.461271
H 2.403677 -0.394136 1.699073
H 4.003023 -0.197968 -0.945715
H 3.996824 0.985249 0.394642
H -4.774221 -0.324568 1.150237
H 1.038589 2.228831 0.323681
H -4.519423 -3.076318 1.051456
H 6.052195 0.985093 1.437169
H 6.732690 0.220105 -0.044337
H 7.014418 -0.513757 1.572021
H 6.049199 -2.647941 0.984214
H 5.679469 -2.138643 -0.703398
H 4.378092 -2.756364 0.373188
H -4.372018 3.272940 0.439818
H -3.525490 2.671771 -1.039610
H -4.624776 1.566387 -0.097446
H -0.376192 -3.358358 -1.846103
H 0.814300 -4.386844 -0.954064
H -0.866780 -4.184607 -0.314816
H 0.652414 5.054123 -1.573567
H 1.611890 4.297760 -0.251171
H 0.191207 5.317057 0.127455


