%chk=000064500.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064500

0 1
 O   0.7183000       2.267000       1.417600    
 O    1.473400       2.625900     -0.7030000    
 O  -0.7935000      0.8798000      -1.499300    
 O   -4.730800      -1.059300       1.784200    
 O   -5.850600      0.7248000      0.9452000    
 N   0.1156000     -8.5100003E-02  0.4077000    
 N   -5.731900     -0.4271000      -1.556100    
 C    2.063500     -9.3400002E-02  -1.126900    
 C    2.398100     -5.5399999E-02   1.376400    
 C    1.471000      0.3857000      0.2194000    
 C    4.399400      6.1200000E-02 -0.1672000    
 C    3.100200      -2.085500      3.8899999E-02
 C    3.477100      0.4990000      -1.318500    
 C    2.187800      -1.633600      -1.116100    
 C    3.810200      0.5366000       1.172400    
 C    2.521400      -1.595800       1.379100    
 C    4.497300      -1.473400     -0.1572000    
 C    1.234200       1.871600      0.2282000    
 C  -0.9090000      0.2069000     -0.4786000    
 C   -2.224600     -0.4061000     -2.9200001E-02
 C   -3.371900     -9.7000003E-02 -0.9931000    
 C   -4.687600     -0.7709000     -0.5880000    
 C   -5.167700     -0.2756000      0.7641000    
 H    1.455300      0.2057000      -1.986300    
 H    2.008500      0.2687000       2.349100    
 H    5.396900      0.4922000     -0.3074000    
 H    3.174800      -3.178700      4.5600001E-02
 H    3.466000       1.590000      -1.388000    
 H    3.892400      0.1456000      -2.271400    
 H    2.600400      -1.979700      -2.072200    
 H    1.200000      -2.099100      -1.017700    
 H    4.464900      0.2274000       1.996900    
 H    3.774400       1.632100       1.198200    
 H    1.548500      -2.066600       1.560000    
 H    3.174400      -1.912700       2.202200    
 H    4.933900      -1.828200      -1.098900    
 H    5.167200      -1.801500      0.6470000    
 H  -9.5500000E-02 -0.6448000       1.228900    
 H   0.5580000       3.234300       1.443700    
 H   -2.086900      -1.490700      5.4000001E-02
 H   -2.443300     -1.0700000E-02  0.9690000    
 H   -3.504100      0.9927000      -1.043100    
 H   -3.093100     -0.4230000      -2.004000    
 H   -4.582100      -1.860800     -0.5627000    
 H   -5.870700      0.5824000      -1.580700    
 H   -6.619700     -0.8379000      -1.270200    
 H   -5.032800     -0.7264000       2.656100    


%chk=000064500-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064500

0 1
O 0.563278 2.158224 1.644116
O 1.849361 2.846361 -0.149208
O -0.938442 1.230464 -0.991343
O -5.099768 -0.111742 1.881402
O -6.026827 1.191944 0.196233
N 0.154846 -0.231469 0.434234
N -5.594620 -1.088156 -1.609863
C 2.100206 0.063390 -1.152945
C 2.454533 -0.207825 1.354162
C 1.490692 0.386731 0.258323
C 4.459610 0.067578 -0.196008
C 3.125730 -2.083448 -0.231617
C 3.535062 0.647558 -1.298210
C 2.185226 -1.480567 -1.313680
C 3.871094 0.411657 1.201219
C 2.568243 -1.750662 1.178537
C 4.547116 -1.473535 -0.362418
C 1.332280 1.909822 0.491663
C -0.984765 0.263257 -0.168376
C -2.296092 -0.396623 0.269747
C -3.337888 -0.414954 -0.867456
C -4.758864 -0.863856 -0.422391
C -5.365331 0.185579 0.531585
H 1.435190 0.498011 -1.920002
H 2.041286 0.036431 2.352325
H 5.469490 0.513187 -0.285779
H 3.176419 -3.183045 -0.356372
H 3.509182 1.747837 -1.252846
H 3.922823 0.364721 -2.297334
H 2.578706 -1.711148 -2.322941
H 1.179564 -1.937626 -1.245035
H 4.522548 0.005232 1.999911
H 3.838663 1.509442 1.338085
H 1.597512 -2.263250 1.336492
H 3.251203 -2.139999 1.959607
H 4.977408 -1.721069 -1.353086
H 5.218697 -1.909178 0.405127
H 0.053882 -0.946903 1.155627
H 0.474202 3.143691 1.750121
H -2.113852 -1.423535 0.643569
H -2.681412 0.184500 1.130619
H -3.383579 0.589852 -1.328418
H -3.028923 -1.121558 -1.658550
H -4.673121 -1.812157 0.138061
H -5.716665 -0.238699 -2.174120
H -6.498048 -1.529021 -1.405168
H -5.498552 0.595156 2.460500


