%chk=000054702.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054702

0 1
 O   0.4548000      -2.129800     -0.7518000    
 O    1.314700       2.418400     -0.1590000    
 O   -4.495100      -2.579000     -0.1103000    
 N   0.9351000      0.1432000     -0.5305000    
 N    4.549700     -0.6034000      5.6499999E-02
 C    2.340200     -8.2199998E-02 -0.8525000    
 C    3.156600     -0.3530000      0.4027000    
 C   -1.783000      0.5929000     -1.7999999E-02
 C   -1.349700     -0.7125000     -0.2886000    
 C  -0.8953000       1.677300      2.1400001E-02
 C   8.2999997E-02 -0.9762000     -0.5467000    
 C   0.5470000       1.461300     -0.2300000    
 C   -3.160300      0.8230000      0.2258000    
 C    5.341900     -0.8650000       1.260000    
 C    5.110000      0.5296000     -0.6826000    
 C   -2.259500      -1.777000     -0.3187000    
 C   -1.357400       2.970500      0.2970000    
 C   -4.059300     -0.2537000      0.1912000    
 C   -3.607500       2.124300      0.4994000    
 C   -3.610600      -1.544600     -7.9300001E-02
 C   -2.711100       3.190000      0.5347000    
 C    4.778400      -2.038100       2.044000    
 C    6.542200      0.2535000      -1.107800    
 C   -5.864600      -2.269700      0.1429000    
 H    2.423100     -0.9241000      -1.550900    
 H    2.666600      0.8149000      -1.384300    
 H    3.063000      0.4869000       1.104000    
 H    2.704600      -1.225800      0.8860000    
 H    6.364400      -1.151500      0.9936000    
 H    5.402500      1.6799999E-02   1.910400    
 H    4.585800      0.6900000      -1.627900    
 H    5.061800       1.463000     -0.1082000    
 H   -1.929200      -2.791400     -0.5287000    
 H  -0.6796000       3.819300      0.3299000    
 H   -5.103400     -2.5200000E-02  0.3842000    
 H   -4.660700       2.321600      0.6890000    
 H   -3.069100       4.193100      0.7480000    
 H    3.867200      -1.777500       2.591400    
 H    4.574800      -2.899500       1.398600    
 H    5.509000      -2.360500       2.794700    
 H    7.247500      0.3264000     -0.2743000    
 H    6.644900     -0.7313000      -1.576500    
 H    6.856900      0.9999000      -1.846200    
 H   -6.009600      -1.882100       1.157100    
 H   -6.424400      -3.208500      7.8199998E-02
 H   -6.275100      -1.601300     -0.6216000    


%chk=000054702-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054702

0 1
O 0.482386 -2.202670 -0.249333
O 1.398224 2.347406 -0.770064
O -4.500352 -2.551690 0.525919
N 0.913522 0.072220 -0.555470
N 4.588980 -0.407327 0.295290
C 2.353628 -0.240593 -0.768180
C 3.138884 -0.295610 0.566235
C -1.842749 0.678973 -0.140933
C -1.402737 -0.684884 -0.101802
C -0.913268 1.740361 -0.369168
C 0.036652 -1.017737 -0.298887
C 0.530099 1.443619 -0.576139
C -3.240616 0.973791 0.055673
C 5.309614 -1.317621 1.221890
C 5.242863 0.917906 0.118562
C -2.315113 -1.717357 0.122990
C -1.355783 3.072684 -0.400871
C -4.162520 -0.099911 0.282870
C -3.660248 2.343743 0.015936
C -3.700690 -1.425016 0.314388
C -2.734077 3.370799 -0.207920
C 5.011187 -2.804107 0.947088
C 6.480663 0.862338 -0.797045
C -5.936467 -2.337563 0.729871
H 2.423624 -1.216341 -1.271800
H 2.768998 0.548300 -1.414045
H 2.895954 0.609810 1.171045
H 2.798335 -1.176042 1.138218
H 6.392953 -1.145005 1.085240
H 5.084155 -1.077178 2.292307
H 4.498386 1.602284 -0.329537
H 5.522658 1.365309 1.106103
H -1.969360 -2.754905 0.152353
H -0.620500 3.864061 -0.577408
H -5.220511 0.138814 0.429073
H -4.720609 2.580120 0.163814
H -3.069724 4.412538 -0.235736
H 3.936325 -3.035710 1.057540
H 5.307274 -3.065134 -0.083888
H 5.568993 -3.448597 1.652442
H 7.269971 0.206973 -0.385912
H 6.199485 0.472254 -1.790757
H 6.914618 1.872369 -0.920807
H -6.124941 -1.722934 1.631414
H -6.358490 -3.342833 0.869950
H -6.398477 -1.856909 -0.154211


