%chk=000055154.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055154

0 1
 O   -2.601500       1.733100      0.2413000    
 O   0.5459000      -1.850400      0.3570000    
 N    4.798500     -6.3900001E-02  4.5299999E-02
 N    1.168500      9.0400003E-02 -0.7746000    
 C    3.395400      0.2864000      0.2251000    
 C    2.569000     -0.2223000     -0.9470000    
 C    5.594200      0.3893000       1.187900    
 C    5.319700      0.5124000      -1.195800    
 C   -1.084100     -0.2167000     -8.3200000E-02
 C    5.078300     -0.1912000       2.488400    
 C    6.758800      0.1048000      -1.435200    
 C   0.2767000     -0.7542000     -0.1354000    
 C   -1.272800       1.266000     -4.1900001E-02
 C   -3.446700     -0.5351000     -3.7599999E-02
 C   -2.098400      -1.084500     -7.8800000E-02
 C   -3.632800      0.8425000      0.1177000    
 C   -4.563300      -1.374300     -0.1324000    
 C   -4.923100       1.374000      0.1858000    
 C   -5.851300     -0.8395000     -7.3200002E-02
 C   -6.030900      0.5331000      8.6599998E-02
 H    3.259800       1.370500      0.3379000    
 H    2.978600     -0.1833000       1.122400    
 H    2.678400      -1.306600      -1.064900    
 H    2.827200      0.2592000      -1.893000    
 H    6.627900      4.0100001E-02   1.097400    
 H    5.620100       1.484100       1.258700    
 H    4.784300      0.1271000      -2.067400    
 H    5.233300       1.606100      -1.209100    
 H   0.8601000      0.9700000      -1.172200    
 H    4.158500      0.2942000       2.829500    
 H    4.906600      -1.270600       2.414300    
 H    5.821000     -3.5200000E-02   3.279400    
 H    7.459000      0.6356000     -0.7829000    
 H    6.903100     -0.9738000      -1.308300    
 H    7.045800      0.3520000      -2.463800    
 H  -0.6239000       1.705200      0.7243000    
 H   -1.006000       1.712200      -1.006100    
 H   -1.968400      -2.159900     -0.1194000    
 H   -4.443700      -2.448500     -0.2514000    
 H   -5.072400       2.442900      0.3146000    
 H   -6.714400      -1.494700     -0.1482000    
 H   -7.033500      0.9476000      0.1364000    


%chk=000055154-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055154

0 1
O -2.892980 1.403159 -1.213610
O 0.832437 -1.151232 0.746086
N 4.877419 0.334826 -0.024413
N 1.243885 0.090664 -1.170660
C 3.450378 0.725470 -0.125213
C 2.690721 -0.191972 -1.123927
C 5.215272 -0.341271 1.256192
C 5.831615 1.407461 -0.408466
C -1.065146 -0.086227 -0.335636
C 4.479785 -1.681442 1.451293
C 7.213254 0.874442 -0.836490
C 0.389357 -0.416701 -0.199957
C -1.615798 0.703138 -1.515136
C -3.371885 -0.287349 0.516226
C -1.945627 -0.581277 0.589541
C -3.809084 0.721878 -0.394528
C -4.336974 -0.897163 1.360372
C -5.155671 1.132275 -0.443003
C -5.692583 -0.514809 1.302714
C -6.096517 0.505137 0.404875
H 3.359450 1.779634 -0.457137
H 2.942253 0.653888 0.858093
H 2.827812 -1.238888 -0.808613
H 3.114813 -0.076841 -2.137058
H 6.303830 -0.531179 1.262101
H 4.998970 0.327680 2.129584
H 5.389499 1.948852 -1.266205
H 5.963364 2.161104 0.411188
H 0.888661 0.708678 -1.900203
H 3.382100 -1.557359 1.473099
H 4.733757 -2.380802 0.634293
H 4.785535 -2.140564 2.410032
H 7.753969 0.395504 -0.001051
H 7.098529 0.128882 -1.642960
H 7.843993 1.704416 -1.206312
H -0.951994 1.527333 -1.831517
H -1.791996 0.036305 -2.387870
H -1.549531 -1.193163 1.408300
H -4.009027 -1.670170 2.065531
H -5.448395 1.925203 -1.137587
H -6.428853 -0.996166 1.954149
H -7.147099 0.812746 0.362083


