%chk=000058808.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058808

0 1
 O   0.4171000     -0.6900000      0.2747000    
 O   -2.615300      -1.281700      -1.551700    
 O   5.0000002E-04  -1.523200      -1.831400    
 N    3.671100      0.6747000      0.8480000    
 C    2.194800      3.8100000E-02  -1.195200    
 C    1.818000     -0.7987000      4.2900000E-02
 C    2.600600     -0.2704000       1.268500    
 C    2.053800       1.532000     -0.8508000    
 C    3.677800     -0.2327000      -1.484300    
 C    3.013600       1.885100      0.2985000    
 C    4.503200      8.4899999E-02 -0.2266000    
 C    3.156200      -1.418700       2.116300    
 C  -0.3925000      -1.090200     -0.7545000    
 C   -1.871900     -0.9314000     -0.3767000    
 C   -2.283300      -1.929300      0.7586000    
 C   -2.132900      0.5505000     -7.5499997E-02
 C   -3.773000      -1.835700       1.135400    
 C   -1.984300      -3.389900      0.3822000    
 C   -2.520600       1.369600      -1.108200    
 C   -1.968300      0.9952000       1.213900    
 C   -2.758100       2.716600     -0.8346000    
 C   -2.205800       2.342300       1.487300    
 C   -2.600800       3.202900      0.4631000    
 H    1.629300     -0.1557000      -2.104900    
 H    2.055400      -1.856200     -0.1364000    
 H    1.913200      0.2712000       1.934200    
 H    1.021200       1.765100     -0.5670000    
 H    2.292300       2.144500      -1.728600    
 H    4.018200      0.3887000      -2.321400    
 H    3.824400      -1.279600      -1.774800    
 H    3.773800       2.596300     -4.8700001E-02
 H    2.467400       2.407500       1.093800    
 H    5.010600     -0.8182000      0.1307000    
 H    5.312900      0.7796000     -0.4843000    
 H    3.723900      -1.033000       2.970000    
 H    2.335500      -2.027600       2.511600    
 H    3.811400      -2.082600       1.543700    
 H   -1.693500      -1.728000       1.660900    
 H   -4.013200      -2.549100       1.931500    
 H   -4.041600     -0.8419000       1.503100    
 H   -4.415900      -2.064200      0.2787000    
 H   -2.596500      -3.733600     -0.4575000    
 H   -2.198500      -4.050500       1.230400    
 H  -0.9307000      -3.533900      0.1246000    
 H   -2.327500      -2.158600      -1.855000    
 H   -2.634400       1.024100      -2.130300    
 H   -1.643300      0.3599000       2.028900    
 H   -3.061200       3.388100      -1.632700    
 H   -2.078200       2.722600       2.496700    
 H   -2.783500       4.252200      0.6757000    


%chk=000058808-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058808

0 1
O 0.428768 -0.667534 0.120170
O -2.754749 -1.630220 -1.405803
O -0.153423 -1.573984 -1.944745
N 3.761396 0.216961 1.131904
C 2.375152 0.412533 -1.063590
C 1.896724 -0.787641 -0.217646
C 2.669987 -0.813422 1.143510
C 2.263334 1.728783 -0.249256
C 3.868765 0.138939 -1.402058
C 3.137017 1.576854 1.049295
C 4.664822 0.034032 -0.048309
C 3.185437 -2.215803 1.505545
C -0.473548 -1.092841 -0.825102
C -1.955471 -0.953879 -0.383974
C -2.197963 -1.680263 0.988072
C -2.334461 0.546036 -0.321889
C -3.691296 -1.599793 1.376508
C -1.726180 -3.150766 0.932298
C -3.317325 1.054274 -1.204284
C -1.738938 1.420365 0.624033
C -3.696469 2.414778 -1.148075
C -2.121775 2.778475 0.681904
C -3.101348 3.283119 -0.205302
H 1.780142 0.472968 -1.990928
H 2.014914 -1.723984 -0.795347
H 1.956818 -0.492180 1.927424
H 1.205463 1.929871 -0.002738
H 2.619579 2.569407 -0.873215
H 4.251868 0.964325 -2.030399
H 3.961258 -0.791118 -1.995057
H 3.953633 2.320831 1.072397
H 2.528185 1.726084 1.959367
H 5.172431 -0.941370 0.043943
H 5.446649 0.811452 0.013597
H 3.715116 -2.188974 2.472747
H 2.337428 -2.920640 1.586204
H 3.879145 -2.614358 0.742654
H -1.596867 -1.139948 1.745299
H -3.862354 -2.124668 2.334260
H -4.030007 -0.555289 1.492265
H -4.311601 -2.079122 0.599180
H -2.282592 -3.699477 0.152228
H -1.911671 -3.645794 1.902613
H -0.644504 -3.238363 0.715261
H -2.133298 -1.875281 -2.148576
H -3.782792 0.365469 -1.914574
H -0.971312 1.044722 1.308842
H -4.460316 2.793505 -1.836880
H -1.655666 3.442521 1.419023
H -3.396703 4.337512 -0.159996


