%chk=000060865.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060865

0 1
 O  -0.5225000      -2.706100       1.248800    
 O   -5.816500       2.554600     -0.7703000    
 O   -4.551400       1.887700      0.9929000    
 N    3.787600       3.301200      0.5410000    
 C   0.4596000     -0.2058000     -0.2388000    
 C  -0.9615000     -0.6100000     -3.1099999E-02
 C    1.566800      -1.174100     -0.4113000    
 C    1.721700      -2.194800      0.5407000    
 C   -1.345000      -1.782800      0.6521000    
 C    2.218900       1.580900     -0.2256000    
 C   0.8071000       1.093700     -0.1545000    
 C   0.7616000      -2.277200       1.694000    
 C    2.401700       2.850600      0.6049000    
 C   -1.982100      0.1691000     -0.6188000    
 C   -3.329000     -0.1849000     -0.5143000    
 C    2.444700      -1.106700      -1.503200    
 C   -2.702600      -2.137100      0.7355000    
 C    2.753800      -3.130100      0.3931000    
 C   -3.689800      -1.339200      0.1647000    
 C   -4.379000      0.6856000      -1.117900    
 C    3.471500      -2.041000      -1.639100    
 C    3.626400      -3.050600     -0.6919000    
 C    3.979000       4.495800       1.365000    
 C    4.177900       3.571300     -0.8437000    
 C   -4.899000       1.750000     -0.1719000    
 H    2.414500       1.788500      -1.282600    
 H    2.947200      0.8509000      0.1415000    
 H   4.8599999E-02   1.857000      3.8999999E-03
 H    1.110500      -3.023900       2.417000    
 H   0.7017000      -1.333200       2.251700    
 H    1.715500       3.635100      0.2568000    
 H    2.136900       2.631300       1.647900    
 H   -1.730400       1.064300      -1.185800    
 H    2.325600     -0.3513000      -2.275900    
 H   -2.997600      -3.045600       1.256600    
 H    2.883300      -3.927900       1.119700    
 H   -4.732100      -1.631800      0.2563000    
 H   -5.229200      7.3600002E-02  -1.442800    
 H   -3.980700       1.185100      -2.009500    
 H    4.145200      -1.986600      -2.489400    
 H    4.424100      -3.779600     -0.8011000    
 H    3.713800       4.290500       2.408200    
 H    3.375200       5.341000       1.015000    
 H    5.031800       4.799700       1.365100    
 H    5.158400       4.062800     -0.8736000    
 H    3.465900       4.224000      -1.361800    
 H    4.311800       2.649500      -1.418100    
 H   -6.153200       3.243000     -0.1578000    


%chk=000060865-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060865

0 1
O -0.541262 -2.592049 1.644951
O -5.672735 2.076732 -0.061245
O -3.678340 2.870629 -0.946823
N 3.766493 3.492409 0.441772
C 0.496191 -0.215958 -0.147908
C -0.929810 -0.653968 0.049725
C 1.525190 -1.285528 -0.359646
C 1.708735 -2.289714 0.633325
C -1.355179 -1.762842 0.851169
C 2.156781 1.750562 -0.435194
C 0.801617 1.119981 -0.208583
C 0.874120 -2.205220 1.886463
C 2.420825 2.890468 0.581925
C -1.946521 0.053069 -0.654548
C -3.314742 -0.281381 -0.580378
C 2.300646 -1.343852 -1.544449
C -2.725779 -2.116267 0.920151
C 2.651950 -3.322617 0.433293
C -3.699487 -1.385812 0.219053
C -4.355453 0.522205 -1.362573
C 3.245873 -2.375910 -1.738808
C 3.424512 -3.369667 -0.749286
C 4.126894 4.311037 1.618391
C 3.946989 4.243424 -0.817082
C -4.492230 1.931459 -0.805131
H 2.194531 2.167912 -1.463668
H 2.971492 1.009642 -0.360330
H -0.019729 1.833312 -0.036558
H 1.206326 -2.924079 2.651803
H 0.886608 -1.181751 2.311044
H 1.607829 3.660268 0.488405
H 2.347042 2.469531 1.602823
H -1.640709 0.882570 -1.301574
H 2.146208 -0.587251 -2.321346
H -2.997637 -2.968383 1.550536
H 2.782422 -4.090433 1.205469
H -4.754485 -1.673111 0.292941
H -5.336055 0.023314 -1.326671
H -4.046019 0.620551 -2.419026
H 3.836306 -2.407458 -2.661248
H 4.154549 -4.172577 -0.898834
H 4.063717 3.695846 2.533659
H 3.467884 5.206544 1.756466
H 5.167801 4.667825 1.518148
H 4.975927 4.642855 -0.860763
H 3.236132 5.103960 -0.920767
H 3.810330 3.579681 -1.687554
H -5.709045 2.996540 0.320081


