%chk=000118556.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118556

0 1
 O    2.227200      -1.862900     -0.5414000    
 O    4.412400     -0.6608000      0.2507000    
 O    4.503500       1.533600     -0.4812000    
 N   -3.839900     -0.5144000      5.5199999E-02
 N   0.3655000       1.658200      0.2791000    
 N   -1.791400      0.5631000      0.1683000    
 N   -1.946700      -1.795600     -0.3067000    
 C   -6.086900      -1.138300      0.3590000    
 C   -6.029000      0.3445000      3.5599999E-02
 C   -4.735500      -1.653400     -0.1312000    
 C   -4.579700      0.7111000      0.3466000    
 C   -2.466300     -0.5873000     -3.1800002E-02
 C  -0.4383000      0.5051000      8.5100003E-02
 C   0.1937000     -0.7104000     -0.1971000    
 C  -0.6038000      -1.827300     -0.3838000    
 C  -0.3414000       2.898400      0.5709000    
 C    1.740400       1.566900      0.1890000    
 C    1.669000     -0.8021000     -0.2932000    
 C    2.433600      0.4525000     -7.5599998E-02
 C  -0.6810000       3.649900     -0.7051000    
 C    3.893000      0.5329000     -0.1350000    
 C    5.841600     -0.7403000      0.2458000    
 C    6.260100      -2.123400      0.6967000    
 H   -6.172100      -1.280500       1.443200    
 H   -6.927700      -1.647400     -0.1203000    
 H   -6.235800      0.5022000      -1.029800    
 H   -6.743700      0.9359000      0.6145000    
 H   -4.426500      -2.530000      0.4479000    
 H   -4.783000      -1.921300      -1.192700    
 H   -4.255800       1.554500     -0.2726000    
 H   -4.463100      0.9752000       1.403800    
 H  -0.1865000      -2.803800     -0.6056000    
 H   -1.246100       2.732900       1.168700    
 H   0.2934000       3.543600       1.192600    
 H    2.233700       2.518600      0.3602000    
 H   0.2219000       3.881000      -1.280000    
 H   -1.345600       3.063400      -1.347700    
 H   -1.183500       4.592800     -0.4679000    
 H    6.213900     -0.5524000     -0.7674000    
 H    6.251200      1.2100000E-02  0.9291000    
 H    7.349400      -2.219600      0.7042000    
 H    5.879400      -2.332400       1.701900    
 H    5.841700      -2.887600      3.3300001E-02


%chk=000118556-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118556

0 1
O 2.166231 -2.157601 0.007653
O 4.551817 -0.729938 0.195919
O 4.420799 1.569137 0.515406
N -3.941733 -0.474164 0.067321
N 0.285430 1.581809 0.412971
N -1.849138 0.572479 0.238815
N -2.055824 -1.868132 -0.045708
C -6.240682 -1.034894 0.261124
C -6.115690 0.439296 -0.208699
C -4.853809 -1.640481 -0.061812
C -4.662715 0.817620 0.166770
C -2.583233 -0.583450 0.088469
C -0.497865 0.422729 0.252322
C 0.160877 -0.835929 0.120876
C -0.708535 -1.954335 -0.023822
C -0.361491 2.920536 0.511635
C 1.657986 1.469650 0.422811
C 1.639662 -1.004433 0.130844
C 2.368607 0.279355 0.296506
C -0.601476 3.554777 -0.871832
C 3.849516 0.451123 0.349729
C 6.042160 -0.611341 0.239145
C 6.586887 -2.020131 0.028045
H -6.424866 -1.072110 1.350641
H -7.057036 -1.578913 -0.242239
H -6.250577 0.501539 -1.304235
H -6.854156 1.107050 0.265413
H -4.546919 -2.446002 0.625060
H -4.805216 -2.048685 -1.089888
H -4.210066 1.564662 -0.507561
H -4.591754 1.216192 1.198558
H -0.263877 -2.949959 -0.125999
H -1.320801 2.779518 1.034078
H 0.292728 3.558085 1.131813
H 2.222513 2.400033 0.545581
H 0.345564 3.688384 -1.424267
H -1.275359 2.922602 -1.474402
H -1.072662 4.547163 -0.752397
H 6.360036 0.094196 -0.550302
H 6.330137 -0.183203 1.216806
H 7.692213 -2.003183 0.050197
H 6.228153 -2.700184 0.818838
H 6.259463 -2.423667 -0.944882


