%chk=000031786.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031786

0 1
 O  -0.1971000     -0.5029000     -0.5361000    
 O   0.4510000     -0.2929000       1.695200    
 N   -2.697000      0.6454000     -0.4306000    
 C   -2.587000     -0.8192000     -0.2803000    
 C   -1.189000      -1.114800      0.2962000    
 C   -3.653000      -1.349200      0.7055000    
 C  -0.9652000     -0.4555000       1.637800    
 C   -5.066400     -0.8866000      0.3576000    
 C   -2.689800      -1.517900      -1.648700    
 C   0.8722000     -5.7900000E-02  0.3321000    
 C  -0.9369000      -2.624200      0.3424000    
 C   -4.039100       1.096200     -0.8057000    
 C   -5.102700      0.6266000      0.1822000    
 C    1.114900       1.436900      0.1200000    
 C    2.138300     -0.8597000      3.6300000E-02
 C   0.8875000       2.012200      -1.131600    
 C    3.058000      -1.118800       1.055100    
 C    1.564300       2.230000       1.177500    
 C    2.380800      -1.336900      -1.253800    
 C    1.108800       3.375700      -1.325200    
 C    4.214000      -1.851000      0.7853000    
 C    1.785400       3.593700      0.9839000    
 C    3.536900      -2.069300      -1.523500    
 C    1.557700       4.166400     -0.2676000    
 C    4.453500      -2.326300     -0.5039000    
 H   -3.450900      -1.013500       1.729200    
 H   -3.665500      -2.444200      0.7314000    
 H   -1.404600      0.5424000       1.734600    
 H   -1.291500      -1.059700       2.489700    
 H   -2.024000      0.9724000      -1.123400    
 H   -5.763400      -1.187400       1.148100    
 H   -5.404100      -1.374000     -0.5645000    
 H   -2.722700      -2.608600      -1.557900    
 H   -3.611300      -1.252700      -2.177400    
 H   -1.860500      -1.252700      -2.314300    
 H   -1.694200      -3.180400      0.8992000    
 H  -0.8205000      -3.059900     -0.6550000    
 H   1.8100001E-02  -2.834000      0.8404000    
 H   -4.292700      0.7775000      -1.822300    
 H   -4.038400       2.192000     -0.8226000    
 H   -6.094900      0.9367000     -0.1643000    
 H   -4.938600       1.109400       1.154100    
 H   0.5454000       1.416800      -1.973700    
 H    2.898800     -0.7530000       2.065700    
 H    1.757200       1.806700       2.159300    
 H    1.686700      -1.143800      -2.067200    
 H   0.9332000       3.821600      -2.299800    
 H    4.928900      -2.049600       1.578500    
 H    2.137000       4.209200       1.806700    
 H    3.724500      -2.437900      -2.527800    
 H    1.730800       5.227900     -0.4185000    
 H    5.354100      -2.895700     -0.7142000    


%chk=000031786-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031786

0 1
O -0.136199 -0.831477 -0.556026
O 0.578652 -0.658881 1.685928
N -2.513333 0.632716 -0.305666
C -2.595440 -0.855224 -0.291631
C -1.243355 -1.378255 0.320007
C -3.781280 -1.255831 0.640799
C -0.900647 -0.750877 1.697803
C -5.099116 -0.531310 0.273087
C -2.784913 -1.447164 -1.722045
C 0.940482 -0.281587 0.307328
C -1.096362 -2.909085 0.341240
C -3.735053 1.366752 -0.690888
C -4.893881 1.000366 0.258821
C 0.971726 1.246804 0.132556
C 2.283475 -0.938614 -0.016073
C 0.966005 1.803593 -1.170947
C 3.400410 -0.673205 0.814523
C 1.039645 2.103083 1.255612
C 2.428887 -1.795966 -1.130243
C 1.020023 3.203264 -1.346620
C 4.648012 -1.271373 0.538062
C 1.092475 3.504531 1.079115
C 3.681800 -2.388312 -1.410495
C 1.083353 4.059317 -0.220842
C 4.794159 -2.129264 -0.578175
H -3.520608 -0.986991 1.683637
H -3.930811 -2.351028 0.605044
H -1.360441 0.250047 1.783111
H -1.155922 -1.395927 2.551868
H -1.669431 0.948919 -0.802631
H -5.887759 -0.809807 0.998150
H -5.453707 -0.866234 -0.722411
H -2.990680 -2.532707 -1.700511
H -3.633039 -0.960958 -2.235252
H -1.874788 -1.274564 -2.322911
H -1.917957 -3.388248 0.904065
H -1.086447 -3.318282 -0.682062
H -0.140473 -3.174995 0.825446
H -4.063307 1.165546 -1.742065
H -3.514183 2.448346 -0.625202
H -5.819609 1.516205 -0.061086
H -4.645400 1.350920 1.279685
H 0.921898 1.139131 -2.041116
H 3.288882 -0.008205 1.677584
H 1.041891 1.662097 2.258096
H 1.556942 -1.997210 -1.759561
H 1.016583 3.626424 -2.357649
H 5.505865 -1.067724 1.188905
H 1.140442 4.162045 1.954720
H 3.788072 -3.051751 -2.276437
H 1.126638 5.145845 -0.357040
H 5.764824 -2.589395 -0.795506


