%chk=000097314.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097314

0 1
 O   -6.772500      -2.274800      0.7472000    
 O   -6.957800       2.340500     -0.6748000    
 N   -5.418900      9.9200003E-02  6.3100003E-02
 N   0.1742000      0.3333000      0.1156000    
 N   0.6507000     -0.7419000     -0.3176000    
 N    6.232900     -0.5182000     -0.2684000    
 N    7.973800      0.7393000      0.2251000    
 N    6.613100      0.5886000      0.1716000    
 C   -6.110100     -0.6932000     -0.9347000    
 C   -6.195100      0.8394000       1.038100    
 C   -4.010200      0.1599000      7.6600000E-02
 C   -6.130600      -2.153400     -0.5160000    
 C   -6.332800       2.288000      0.6014000    
 C   -3.321700      0.6368000      -1.038700    
 C   -3.305100     -0.2587000       1.205000    
 C   -1.928000      0.6950000      -1.025800    
 C   -1.911500     -0.2005000       1.218100    
 C   -1.230000      0.2761000      0.1027000    
 C    2.048000     -0.6853000     -0.3052000    
 C    2.737000     -0.2092000      -1.420700    
 C    2.752800      -1.105400      0.8229000    
 C    4.835500     -0.5732000     -0.2803000    
 C    4.130600     -0.1532000      -1.408200    
 C    4.146500      -1.049300      0.8353000    
 C    8.444700       2.012600      0.7312000    
 C    8.884300     -0.3926000      0.2364000    
 H   -7.144100     -0.3435000      -1.041200    
 H   -5.648300     -0.5948000      -1.923400    
 H   -7.194800      0.3981000       1.133900    
 H   -5.742800      0.7934000       2.035100    
 H   -6.685700      -2.749300      -1.247100    
 H   -5.117500      -2.559600     -0.4299000    
 H   -6.941900       2.854600       1.312700    
 H   -5.357900       2.779000      0.5209000    
 H   -3.854700      0.9780000      -1.922300    
 H   -3.824500     -0.6438000       2.078600    
 H   -1.399400       1.070600      -1.897900    
 H   -1.369900     -0.5306000       2.100500    
 H   -6.770000      -3.219300      0.9784000    
 H   -7.845900       1.955700     -0.5814000    
 H    2.196700      0.1196000      -2.304700    
 H    2.225000      -1.478900       1.696600    
 H    4.658300      0.2182000      -2.282800    
 H    4.686700      -1.380100       1.718500    
 H    7.713400       2.795700      0.5100000    
 H    9.391500       2.266400      0.2466000    
 H    8.587100       1.934500       1.812400    
 H    9.888200     -5.0400000E-02 -3.1800002E-02
 H    8.579100      -1.147800     -0.4924000    
 H    8.900400     -0.8223000       1.241600    


%chk=000097314-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097314

0 1
O -7.796126 -0.256976 -1.993932
O -7.573258 -0.461035 2.411355
N -5.577699 -0.091275 0.048151
N 0.053684 0.689747 -0.264012
N 0.843139 -0.217040 0.278514
N 6.452892 0.666324 -0.121029
N 8.555861 0.036697 0.303159
N 7.231405 -0.242422 0.441602
C -6.504043 0.975035 -0.369647
C -6.182259 -1.350313 0.521696
C -4.191071 0.082028 -0.011039
C -6.909619 0.914664 -1.850364
C -6.483548 -1.379880 2.036495
C -3.603557 1.220902 -0.657578
C -3.292231 -0.878128 0.573778
C -2.212296 1.379927 -0.712468
C -1.905716 -0.713695 0.509210
C -1.332244 0.421686 -0.138617
C 2.234843 0.057921 0.147119
C 3.107786 -0.900773 0.737553
C 2.795506 1.190400 -0.515689
C 5.061117 0.386347 0.014144
C 4.500516 -0.746237 0.676997
C 4.187122 1.345347 -0.577640
C 9.483119 -0.918403 0.912307
C 9.036124 1.237061 -0.400621
H -7.416494 0.899415 0.246855
H -6.061704 1.962539 -0.149075
H -7.116110 -1.505374 -0.049984
H -5.516692 -2.195150 0.265350
H -7.451703 1.846836 -2.119783
H -6.012485 0.815501 -2.494450
H -6.723873 -2.421518 2.343674
H -5.614268 -1.030135 2.615861
H -4.233595 1.976421 -1.134870
H -3.687884 -1.749065 1.104340
H -1.768994 2.248447 -1.211722
H -1.231234 -1.446189 0.963874
H -7.981762 -0.422682 -2.951190
H -8.415488 -0.785598 2.001143
H 2.653464 -1.761604 1.240322
H 2.117511 1.921363 -0.966080
H 5.168706 -1.483245 1.131803
H 4.640122 2.206487 -1.080944
H 8.885693 -1.720750 1.370950
H 10.100196 -0.435239 1.694189
H 10.159060 -1.358491 0.154318
H 10.137579 1.233973 -0.387619
H 8.652233 2.152187 0.086788
H 8.667077 1.247161 -1.442397


