%chk=000015547.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015547

0 1
 O   -2.680800      -1.602400      0.3882000    
 O   -3.342200      0.9869000     -0.3622000    
 O    2.397700      -1.604600      0.5809000    
 O    4.799200     -0.9234000     -0.1915000    
 O    5.320400       1.249500      0.4135000    
 N    1.331500       2.148400     -0.5135000    
 C   0.6354000     -9.8800004E-02  9.0800002E-02
 C   0.3109000       1.216900     -0.2903000    
 C   -1.704900     -0.6775000      0.1657000    
 C   -2.037400      0.6241000     -0.2111000    
 C  -0.3681000      -1.044400      0.3181000    
 C   -1.034400       1.568300     -0.4385000    
 C   -2.662300      -2.772200     -0.4270000    
 C   -3.820500       2.044300      0.4664000    
 C    2.068700     -0.4725000      0.2494000    
 C    3.084100      0.5892000     -1.1500000E-02
 C    2.646800       1.803900     -0.3686000    
 C   -2.476100      -3.995800      0.4572000    
 C   -3.952500      -2.843900      -1.229500    
 C   -4.276200       3.200500     -0.4107000    
 C   -4.946500       1.521700       1.345400    
 C    4.526700      0.3741000      0.1018000    
 C    6.180500      -1.292400     -0.1231000    
 H  -0.1101000      -2.054400      0.6223000    
 H   -1.290300       2.580000     -0.7429000    
 H   -1.834300      -2.741700      -1.148500    
 H   -3.031800       2.412900       1.136600    
 H    1.102700       3.094100     -0.7885000    
 H    3.312800       2.632700     -0.5807000    
 H   -2.460900      -4.915700     -0.1354000    
 H   -1.541100      -3.932400       1.022700    
 H   -3.282900      -4.069100       1.194800    
 H   -3.977100      -3.731900      -1.868300    
 H   -4.059200      -1.955600      -1.861500    
 H   -4.824400      -2.863900     -0.5664000    
 H   -4.654400       4.031700      0.1923000    
 H   -3.454000       3.569100      -1.032100    
 H   -5.067300       2.879400      -1.097500    
 H   -5.342400       2.306800       1.996600    
 H   -4.591000      0.6955000       1.970600    
 H   -5.765700       1.124400      0.7360000    
 H    6.561500      -1.145500      0.8920000    
 H    6.763800     -0.7105000     -0.8431000    
 H    6.262300      -2.352000     -0.3791000    


%chk=000015547-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015547

0 1
O -2.897930 -1.570575 -0.310728
O -3.493189 0.905262 0.324269
O 2.265374 -1.833492 -0.496281
O 4.908656 -0.987109 -0.422679
O 5.319250 1.236370 0.110047
N 1.295763 2.108922 0.430118
C 0.593259 -0.158279 -0.070587
C 0.252387 1.180715 0.247457
C -1.803266 -0.728704 -0.129372
C -2.134069 0.641198 0.197860
C -0.455807 -1.096143 -0.253995
C -1.102808 1.581853 0.379078
C -2.656514 -3.018008 -0.604588
C -3.957666 2.299355 0.594695
C 2.012439 -0.615088 -0.216565
C 3.019856 0.452225 -0.007032
C 2.610243 1.749215 0.305643
C -2.274803 -3.763028 0.685792
C -3.970418 -3.510571 -1.217512
C -3.905738 3.131704 -0.698586
C -5.376960 2.133441 1.145208
C 4.497327 0.294759 -0.093170
C 6.375755 -1.172683 -0.516126
H -0.141769 -2.115402 -0.497152
H -1.334491 2.623143 0.624388
H -1.842170 -3.089496 -1.353943
H -3.305306 2.740906 1.377199
H 1.060213 3.074850 0.662089
H 3.365753 2.525296 0.461445
H -2.097181 -4.831533 0.465648
H -1.358712 -3.353764 1.143860
H -3.096174 -3.689422 1.420230
H -3.891442 -4.581917 -1.475835
H -4.211259 -2.942929 -2.132230
H -4.799165 -3.380489 -0.499762
H -4.253670 4.162277 -0.501567
H -2.886562 3.184438 -1.118382
H -4.566552 2.680974 -1.459312
H -5.810527 3.120086 1.389005
H -5.370147 1.513935 2.057692
H -6.020330 1.639473 0.396730
H 6.855405 -0.946987 0.451577
H 6.800298 -0.510122 -1.289588
H 6.498850 -2.230857 -0.785238


