%chk=000055598.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055598

0 1
 O   -3.032000      -1.793200     -2.8899999E-02
 O    1.621700      -1.105100      -1.011400    
 O   -1.798700     -0.1837000      -2.225600    
 N   -5.149000       1.854100      0.3755000    
 N    5.679600       1.416600     -0.1896000    
 C   -4.123000      0.8323000      0.5437000    
 C    5.009200      0.1421000      3.8199998E-02
 C   -4.560300       3.116800     -4.8300002E-02
 C    6.989700       1.435200      0.4455000    
 C   -4.752600     -0.4807000      0.9975000    
 C    3.634800      0.1411000     -0.6232000    
 C   -3.701300      -1.562900       1.203100    
 C    2.900400      -1.171100     -0.3837000    
 C   -3.956200       3.846700       1.148100    
 C   -5.625100       3.970100     -0.7301000    
 C    6.849900       1.716700       1.938900    
 C    7.866700       2.484800     -0.2302000    
 C  -0.7095000      -1.420300     -0.5380000    
 C   -1.720500      -2.185400      4.3600000E-02
 C   0.6186000      -1.837700     -0.4509000    
 C   -1.403400      -3.367800      0.7121000    
 C   0.9356000      -3.020200      0.2176000    
 C  -7.5400002E-02  -3.785300      0.7992000    
 C   -1.041000     -0.1843000      -1.237600    
 C  -0.4584000       1.141100     -0.7657000    
 H   -3.377100       1.136100       1.285500    
 H   -3.611200      0.6793000     -0.4108000    
 H    5.605700     -0.6812000     -0.3740000    
 H    4.876300     -4.4399999E-02   1.109100    
 H   -3.773200       2.945200     -0.7942000    
 H    7.497300      0.4709000      0.3119000    
 H   -5.469800     -0.8175000      0.2382000    
 H   -5.305500     -0.3336000       1.933000    
 H    3.025100      0.9701000     -0.2403000    
 H    3.726300      0.3113000      -1.703800    
 H   -5.820500       1.530900     -0.3211000    
 H    5.777200       1.558100      -1.195000    
 H   -4.187600      -2.491700       1.521400    
 H   -2.999200      -1.250900       1.987200    
 H    2.809900      -1.310700      0.7015000    
 H    3.468500      -2.003400     -0.8150000    
 H   -4.700200       4.007800       1.936500    
 H   -3.113500       3.300600       1.583000    
 H   -3.578500       4.829800      0.8453000    
 H   -6.456700       4.193300     -5.2000001E-02
 H   -6.033500       3.463900      -1.612000    
 H   -5.201400       4.923400      -1.064500    
 H    6.314500       2.655600       2.121100    
 H    6.319000      0.9163000       2.463200    
 H    7.837500       1.804700       2.405600    
 H    7.432800       3.487500     -0.1438000    
 H    7.999900       2.263700      -1.295100    
 H    8.861700       2.510700      0.2276000    
 H   -2.180900      -3.979400       1.161600    
 H    1.950500      -3.400500      0.2839000    
 H   0.1699000      -4.710700       1.312100    
 H   0.2905000       1.483300      -1.484100    
 H   6.2000002E-03   1.031300      0.2181000    
 H   -1.262600       1.876700     -0.6809000    


%chk=000055598-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055598

0 1
O -2.594804 -0.600919 0.056910
O 2.151044 -0.220425 0.134257
O -0.718084 0.720232 -1.938839
N -6.283943 1.613896 -0.298465
N 6.894956 0.809503 -0.445668
C -5.176869 0.886982 0.364982
C 5.957783 -0.172444 0.137894
C -6.544253 2.995101 0.193124
C 8.341475 0.473977 -0.348393
C -4.983623 -0.490667 -0.298194
C 4.500681 0.267535 -0.113229
C -3.859142 -1.316565 0.326686
C 3.494684 -0.727046 0.469343
C -7.168212 2.964087 1.605910
C -7.484357 3.701575 -0.804898
C 8.833701 0.598466 1.110750
C 9.128530 1.423356 -1.274473
C -0.219086 -0.476746 0.107005
C -1.394777 -1.190692 0.465923
C 1.037225 -0.980927 0.531940
C -1.318444 -2.391212 1.218468
C 1.131569 -2.181238 1.281350
C -0.052604 -2.871856 1.610978
C -0.314696 0.777415 -0.748517
C 0.064070 2.088843 -0.079300
H -5.437918 0.739941 1.431364
H -4.211147 1.447403 0.337590
H 6.110759 -1.207688 -0.267878
H 6.139580 -0.230855 1.228695
H -5.591379 3.583230 0.251792
H 8.529539 -0.578972 -0.685924
H -4.763886 -0.361765 -1.376531
H -5.930180 -1.059862 -0.221221
H 4.341849 1.266131 0.331955
H 4.314601 0.361017 -1.201487
H -6.135842 1.624998 -1.319324
H 6.637380 1.019759 -1.421306
H -3.811376 -2.327028 -0.127119
H -3.997515 -1.419927 1.423852
H 3.601020 -0.802570 1.571820
H 3.627265 -1.737083 0.028751
H -8.105775 2.379378 1.587674
H -6.488856 2.504649 2.346314
H -7.393218 3.990380 1.950280
H -8.434843 3.143492 -0.888742
H -7.028902 3.762806 -1.812415
H -7.707735 4.730777 -0.472071
H 8.651395 1.624133 1.478744
H 8.314086 -0.107286 1.783820
H 9.916296 0.382963 1.172358
H 8.972422 2.472170 -0.962778
H 8.800785 1.322777 -2.327500
H 10.209648 1.201452 -1.235000
H -2.220384 -2.939639 1.500252
H 2.099205 -2.576783 1.598867
H 0.012655 -3.800301 2.188818
H 1.066098 2.004473 0.375886
H -0.654977 2.302455 0.735499
H 0.043722 2.911547 -0.811576


