%chk=000100271.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100271

0 1
 O    1.466800      -2.325000       1.674800    
 O    2.560900      0.7690000       2.277400    
 O    5.384800       1.491400      -1.317600    
 N  -9.4899997E-02 -0.8210000      0.8291000    
 N   -2.833700     -9.6100003E-02  0.2358000    
 N    3.773600     -0.1752000      -1.454000    
 N    3.995500       1.163600      0.4964000    
 N    2.108900      -1.914900      -1.611000    
 C   -1.224300      -1.515900       1.442800    
 C  -0.4214000      0.3762000      4.7499999E-02
 C   -2.461900      -1.478600      0.5491000    
 C   -1.807500      0.9410000      0.3622000    
 C    1.192200      -1.320400       1.017400    
 C   -4.144900      0.2230000     -0.1094000    
 C    2.300900     -0.5901000      0.3682000    
 C    2.709900     -0.9034000     -0.8851000    
 C   -4.981900     -0.7095000     -0.7671000    
 C   -4.695400       1.493500      0.1828000    
 C    2.955000      0.5051000       1.141500    
 C    4.450800      0.8685000     -0.8001000    
 C   -6.294700     -0.3895000      -1.113300    
 C   -6.008300       1.813300     -0.1633000    
 C    4.212700     -0.5181000      -2.811800    
 C   -6.807900      0.8716000     -0.8114000    
 C    4.665000       2.241700       1.219300    
 H  -0.9560000      -2.554100       1.665300    
 H   -1.424200      -1.018000       2.399600    
 H   0.3364000       1.147600      0.2134000    
 H  -0.3689000      8.3600000E-02  -1.008500    
 H   -2.262700      -2.020000     -0.3838000    
 H   -3.276500      -1.990700       1.075600    
 H   -1.825200       1.343700       1.382300    
 H   -1.994500       1.769800     -0.3314000    
 H   -4.612000      -1.698100      -1.029600    
 H   -4.107600       2.248100      0.7004000    
 H   -6.916700      -1.121400      -1.620400    
 H   -6.409600       2.794100      7.4500002E-02
 H    4.553800      -1.558200      -2.829600    
 H    5.041100      0.1116000      -3.147100    
 H    3.380100     -0.3749000      -3.507900    
 H   -7.830200       1.120700      -1.080800    
 H    4.246900       2.408100       2.214700    
 H    4.578600       3.162200      0.6331000    
 H    5.727400       1.993700       1.310700    
 H    1.340800      -2.440100      -1.212600    
 H    2.423100      -2.136100      -2.545400    


%chk=000100271-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100271

0 1
O 0.943716 -2.702320 0.258605
O 2.195536 0.961904 1.883625
O 5.225563 1.623342 -1.610356
N -0.148150 -0.829145 1.063481
N -2.855397 -0.070281 0.564594
N 3.894819 -0.309826 -1.641298
N 3.681799 1.295079 0.112059
N 2.610606 -2.294958 -1.648210
C -1.251317 -1.705047 1.515860
C -0.479113 0.617705 1.006663
C -2.488273 -1.502932 0.622706
C -1.979470 0.861204 1.291670
C 0.956081 -1.416518 0.475294
C -4.096421 0.311756 0.027174
C 2.113012 -0.595897 0.020303
C 2.867741 -1.079259 -1.091130
C -4.873598 -0.626235 -0.725812
C -4.634097 1.626808 0.199434
C 2.607205 0.559607 0.749075
C 4.312980 0.931896 -1.074369
C -6.111253 -0.255089 -1.288220
C -5.871375 1.982423 -0.374530
C 4.623589 -0.771868 -2.839943
C -6.625552 1.051735 -1.126057
C 4.184201 2.523565 0.769022
H -0.907025 -2.747426 1.445593
H -1.487513 -1.475719 2.571807
H 0.128365 1.175757 1.740670
H -0.222716 0.996244 -0.001651
H -2.266184 -1.893943 -0.391978
H -3.330589 -2.100686 1.032029
H -2.166640 0.826268 2.387597
H -2.190814 1.893415 0.968471
H -4.504564 -1.642854 -0.888674
H -4.105976 2.373037 0.800641
H -6.676383 -0.998154 -1.863523
H -6.253717 2.998480 -0.219930
H 5.161671 -1.716169 -2.636848
H 5.356798 0.008558 -3.090210
H 3.935528 -0.902179 -3.694792
H -7.587558 1.334716 -1.565210
H 3.604814 2.654740 1.693709
H 4.055603 3.389637 0.099182
H 5.257062 2.418829 0.999764
H 1.944005 -2.872682 -1.081219
H 3.097300 -2.635716 -2.472368


