%chk=000148629.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148629

0 1
 O    1.322200      -1.358700      -1.707400    
 O   -1.439600     -0.8836000      -1.834400    
 O   -3.575300     -9.5500000E-02 -0.3976000    
 N  -5.4699998E-02 -0.6247000      2.2399999E-02
 N   -2.297800     -0.1689000      0.1875000    
 C    3.308600      0.1434000     -4.1600000E-02
 C    4.508800      0.2532000      0.9083000    
 C    2.617900       1.503700     -0.2090000    
 C    2.318300     -0.9063000      0.4595000    
 C    5.487900       1.334600      0.4570000    
 C    3.600200       2.582900     -0.6586000    
 C    4.796100       2.683200      0.2832000    
 C    3.030700      -2.252800      0.6608000    
 C    1.165200      -1.006200     -0.5408000    
 C    2.096400      -3.334900       1.187300    
 C   -1.282800     -0.5845000     -0.6514000    
 C   -5.883000      0.4274000     -3.0800000E-02
 C   -4.496300      0.3440000      0.5913000    
 C   -6.923800      0.9104000      0.9753000    
 C   -8.298900       1.033500      0.3387000    
 H    3.686600     -0.1609000      -1.028500    
 H    4.168700      0.4708000       1.928400    
 H    5.084000     -0.6764000      0.9431000    
 H    1.814700       1.452000     -0.9521000    
 H    2.157300       1.809300      0.7393000    
 H    1.929900     -0.5877000       1.436200    
 H    6.297600       1.428400       1.189600    
 H    5.949400       1.037000     -0.4927000    
 H    3.951900       2.356900      -1.672800    
 H    3.087800       3.550500     -0.7067000    
 H    4.460400       3.049600       1.261200    
 H    5.511000       3.417400     -0.1050000    
 H    3.478400      -2.596300     -0.2795000    
 H    3.831500      -2.174200       1.400900    
 H    1.306200      -3.568300      0.4672000    
 H    2.656200      -4.256800       1.375600    
 H    1.627400      -3.025800       2.127000    
 H  -7.1800001E-02 -0.3468000      0.9997000    
 H   -2.190100      8.1100002E-02   1.164000    
 H   -6.164900     -0.5561000     -0.4270000    
 H   -5.850800       1.100900     -0.8965000    
 H   -4.192500       1.330500      0.9624000    
 H   -4.503700     -0.3650000       1.428200    
 H   -6.628000       1.885800       1.378800    
 H   -6.977600      0.2130000       1.819200    
 H   -8.286000       1.751100     -0.4879000    
 H   -9.029000       1.379300       1.077200    
 H   -8.639300      6.8099998E-02 -4.9199998E-02


%chk=000148629-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148629

0 1
O 0.580287 -1.293974 -0.765782
O -1.619651 0.864216 -0.495082
O -3.621084 0.732386 1.546337
N -0.062358 -0.025161 1.093186
N -2.320730 0.140416 1.619626
C 3.244806 0.090127 -0.072303
C 4.692823 0.195333 0.476225
C 2.676339 1.511907 -0.337583
C 2.314070 -0.733292 0.883802
C 5.608438 1.021661 -0.460141
C 3.589455 2.335846 -1.275699
C 5.030113 2.430786 -0.724526
C 2.763443 -2.210174 1.059567
C 0.885374 -0.719966 0.311077
C 1.895232 -2.999762 2.063159
C -1.375421 0.367960 0.628908
C -5.832873 0.739612 0.567969
C -4.494175 0.002293 0.556715
C -6.839487 0.114771 -0.428837
C -8.196734 0.850490 -0.426827
H 3.269783 -0.452885 -1.041311
H 4.663368 0.679956 1.476440
H 5.132569 -0.809758 0.618836
H 1.663274 1.444813 -0.777002
H 2.573937 2.047088 0.632181
H 2.322189 -0.237194 1.880263
H 6.622555 1.096496 -0.021033
H 5.717217 0.486152 -1.426151
H 3.611347 1.852457 -2.274148
H 3.163155 3.347218 -1.420852
H 5.021472 3.006135 0.224965
H 5.678143 2.985672 -1.430442
H 2.722833 -2.698519 0.067197
H 3.816168 -2.231559 1.394903
H 0.843960 -3.057465 1.726017
H 2.265304 -4.035197 2.172731
H 1.911575 -2.530825 3.066288
H 0.248229 0.341141 1.996629
H -2.143838 -0.406755 2.465369
H -5.658244 1.800730 0.306556
H -6.257724 0.721467 1.590655
H -4.595323 -1.052002 0.884196
H -4.002325 0.046506 -0.431115
H -6.997220 -0.953690 -0.176943
H -6.407555 0.136473 -1.449297
H -8.664436 0.818751 0.575155
H -8.901943 0.393522 -1.144651
H -8.070941 1.913393 -0.705428


