%chk=000058828.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058828

0 1
 O  -0.5291000     -0.7920000     -5.2000001E-02
 O  -0.1216000     -0.9365000      -2.314400    
 O    2.502000     -0.8276000      -1.977300    
 N   -3.482300       1.033100     -0.5991000    
 C   -2.710800     -0.8397000       1.028700    
 C   -1.927100     -0.8989000     -0.2950000    
 C   -4.200200     -0.9887000      0.6868000    
 C   -2.517100      0.5527000       1.654500    
 C   -2.376700      0.2569000      -1.206800    
 C   -4.606400      0.1183000     -0.3005000    
 C   -3.001100       1.626800      0.6672000    
 C   0.2766000     -0.8244000      -1.160800    
 C    1.747900     -0.6949000     -0.7690000    
 C    2.014100      0.6923000     -0.1875000    
 C    2.139000      -1.810400      0.1181000    
 C    1.963800      0.8574000       1.178900    
 C    2.295500       1.728300      -1.050200    
 C    2.207100       2.124000       1.710100    
 C    2.538900       2.994900     -0.5189000    
 C    2.494700       3.192700      0.8612000    
 C    2.455200      -2.725800      0.8293000    
 C    2.837700      -3.838400       1.696900    
 H   -2.374500      -1.615400       1.724400    
 H   -2.122700      -1.865500     -0.7786000    
 H   -4.805000     -0.9184000       1.598600    
 H   -4.390900      -1.973600      0.2444000    
 H   -1.462200      0.7182000       1.902700    
 H   -3.083600      0.6250000       2.590500    
 H   -1.567400      0.9580000      -1.443800    
 H   -2.719700     -0.1444000      -2.169100    
 H   -4.977000     -0.3282000      -1.231800    
 H   -5.450000      0.6897000      0.1065000    
 H   -3.801200       2.222400       1.124300    
 H   -2.189800       2.335900      0.4600000    
 H    2.338400      -1.713200      -2.345700    
 H    1.722000      5.2299999E-02   1.864600    
 H    2.320100       1.602900      -2.127900    
 H    2.167300       2.279700       2.784200    
 H    2.758800       3.828200      -1.179700    
 H    2.681900       4.179400       1.274600    
 H    3.096500      -3.480000       2.697700    
 H    3.704700      -4.368200       1.291200    
 H    2.017000      -4.555300       1.794900    


%chk=000058828-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058828

0 1
O -0.498353 -0.675002 -0.135352
O 0.039303 -1.388743 -2.288010
O 2.660582 -0.880164 -1.971990
N -3.555361 1.116263 -0.573360
C -2.690575 -0.820781 0.935777
C -1.968236 -0.840294 -0.425480
C -4.208813 -1.004959 0.648582
C -2.458753 0.544867 1.639228
C -2.509809 0.346013 -1.299131
C -4.692761 0.208315 -0.232005
C -2.974871 1.683320 0.684531
C 0.369265 -0.974710 -1.147754
C 1.874421 -0.779993 -0.736124
C 2.084050 0.629491 -0.148730
C 2.218279 -1.871020 0.202363
C 2.037709 0.859036 1.245660
C 2.273352 1.718304 -1.032618
C 2.174999 2.169939 1.753857
C 2.411133 3.028310 -0.522802
C 2.358786 3.259836 0.871495
C 2.520146 -2.811651 0.940526
C 2.898042 -3.933735 1.810723
H -2.313727 -1.645758 1.565317
H -2.085495 -1.811942 -0.939914
H -4.753780 -1.043091 1.609902
H -4.389139 -1.968207 0.133345
H -1.385891 0.672532 1.864091
H -3.006599 0.551224 2.600093
H -1.680163 1.030631 -1.553132
H -2.934341 -0.034585 -2.243920
H -5.146698 -0.141291 -1.176938
H -5.453465 0.807024 0.299614
H -3.756857 2.293350 1.171090
H -2.151953 2.362201 0.398562
H 2.126399 -1.431093 -2.610964
H 1.900513 0.012958 1.927274
H 2.343462 1.523683 -2.106799
H 2.144112 2.339959 2.836111
H 2.566212 3.866000 -1.212104
H 2.468062 4.276358 1.266264
H 3.128031 -3.586235 2.834565
H 3.796241 -4.446783 1.420768
H 2.085341 -4.679980 1.879590


