%chk=000014959.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014959

0 1
 O   0.7123000       1.271100      -1.768400    
 O  -2.9899999E-02  0.3291000       1.829700    
 O    3.274300       2.163300       2.059600    
 O   -1.792300       3.886700     -0.6704000    
 O   -1.047200      -1.561200      -3.467200    
 O   -1.437100      -3.279400       3.548200    
 O  -0.3395000      -2.863200      -1.740500    
 O   -3.036500      -1.692200       3.231100    
 N    1.984200       1.740700      0.1507000    
 N  -0.8799000       2.139700      0.5948000    
 N    3.551500      0.1056000       1.009100    
 N   -2.809800       1.802800     -0.8599000    
 N    2.104800      -1.376100      -1.815900    
 N   -2.189900      -1.326200      0.5873000    
 N    3.631000      -1.973900     -0.3048000    
 N   -3.673300     -0.5019000     -0.8584000    
 C    1.370600       3.059000      0.2739000    
 C   0.1152000       3.029300       1.129300    
 C    2.221200     -0.3239000     -0.9535000    
 C   -1.881500     -4.6999999E-03  0.4351000    
 C    1.552400      0.9368000     -0.9376000    
 C  -0.8483000      0.7781000       1.031900    
 C    3.160900     -0.7157000     -3.9500002E-02
 C   -2.804100      0.4754000     -0.4538000    
 C    2.966000       1.389200       1.146300    
 C   -1.836100       2.694800     -0.3451000    
 C    2.973300      -2.345000      -1.383800    
 C   -3.275400      -1.578000     -0.2115000    
 C    1.242400      -1.476100      -2.969100    
 C   -1.519800      -2.294600       1.421900    
 C    4.556600     -0.3484000       1.962200    
 C   -3.810000       2.275900      -1.808900    
 C  -0.1019000      -2.059000      -2.629200    
 C   -2.104000      -2.358000       2.806500    
 H    2.090000       3.760600      0.7110000    
 H    1.131100       3.437700     -0.7270000    
 H   0.3700000       2.718100       2.149400    
 H  -0.2928000       4.043500       1.205000    
 H    3.081800      -3.294200      -1.890700    
 H   -3.730100      -2.556900     -0.2806000    
 H    1.727900      -2.126000      -3.705000    
 H    1.141300     -0.4829000      -3.414000    
 H  -0.4552000      -2.053200       1.464400    
 H   -1.636500      -3.274200      0.9452000    
 H    4.758000      0.4062000       2.726600    
 H    5.485000     -0.5625000       1.424000    
 H    4.195900      -1.258600       2.451200    
 H   -3.712300       1.708100      -2.739400    
 H   -3.685900       3.338900      -2.029900    
 H   -4.805700       2.117600      -1.383500    
 H   -1.937900      -1.920900      -3.267900    
 H   -1.794700      -3.343600       4.459400    


%chk=000014959-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000014959

0 1
O 0.572401 1.468874 -1.832449
O -0.419501 0.599736 2.602880
O 3.433195 2.179704 1.858207
O -1.493134 3.751333 -0.734876
O -1.484188 -1.229404 -3.011642
O -2.359156 -3.578695 3.974864
O -0.383127 -2.185949 -1.192837
O -4.092314 -3.041264 2.516709
N 2.006901 1.803516 0.029582
N -0.876329 2.127329 0.843185
N 3.714375 0.195831 0.637577
N -2.397486 1.600721 -0.964076
N 2.051604 -1.234878 -2.169606
N -2.308952 -1.327262 1.059306
N 3.765130 -1.844983 -0.778480
N -3.158182 -0.766932 -0.976042
C 1.364444 3.118665 0.297317
C 0.200021 3.037488 1.314304
C 2.227187 -0.188176 -1.248991
C -1.955367 0.014478 0.826022
C 1.521235 1.051214 -1.091917
C -1.045777 0.882250 1.530248
C 3.278160 -0.593666 -0.415280
C -2.512981 0.339668 -0.415910
C 3.076632 1.431439 0.906099
C -1.591120 2.567643 -0.315207
C 2.985707 -2.202581 -1.831999
C -3.023141 -1.747773 -0.034663
C 0.925077 -1.347552 -3.102859
C -1.799671 -2.145563 2.164235
C 4.820085 -0.258879 1.505070
C -3.001451 1.928029 -2.270890
C -0.373783 -1.642693 -2.325895
C -2.898523 -2.936571 2.862219
H 2.133495 3.791423 0.709103
H 0.996150 3.507823 -0.664394
H 0.546160 2.650897 2.285326
H -0.216273 4.050794 1.442407
H 3.069779 -3.146062 -2.365976
H -3.406108 -2.757069 -0.142640
H 1.122876 -2.164312 -3.818847
H 0.793735 -0.406863 -3.658119
H -1.291114 -1.475476 2.881224
H -1.035728 -2.852812 1.789501
H 4.959834 0.497151 2.290789
H 5.744092 -0.369137 0.913268
H 4.567882 -1.234129 1.952969
H -2.412218 1.470055 -3.084350
H -2.985607 3.021619 -2.381344
H -4.035981 1.550398 -2.303342
H -2.326619 -1.188882 -2.395824
H -3.062227 -4.112817 4.434343


