%chk=000123880.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123880

0 1
 O  -0.1830000       2.677600     -0.1165000    
 O    1.643100       2.690500       1.281200    
 O   -1.644600      -1.111100       2.205400    
 N  -0.9237000      0.2749000      0.4913000    
 N    4.216600     -0.7919000     -0.2085000    
 N    5.495000      -2.550600      -1.229800    
 N    6.443200      -1.167500      0.3138000    
 C    1.455900     -0.2847000      0.7701000    
 C   0.3130000      0.6801000       1.109200    
 C    1.882800     -0.2491000     -0.7054000    
 C    3.047500      -1.191500     -0.9936000    
 C   0.6789000       2.121000      0.7801000    
 C   -1.812100     -0.6002000       1.101200    
 C   -3.030500     -0.9397000      0.3218000    
 C   8.8500001E-02   4.035200     -0.4794000    
 C   -3.675500      -2.158600      0.5316000    
 C   -3.529900     -3.9400000E-02 -0.6195000    
 C    5.301600      -1.479500     -0.3860000    
 C  -0.9541000       4.497300      -1.475000    
 C   -4.819600      -2.477400     -0.1999000    
 C   -4.674100     -0.3582000      -1.350900    
 C   -5.318900      -1.577200      -1.141100    
 H    2.317100     -2.9300001E-02   1.399900    
 H    1.165100      -1.308900       1.035600    
 H   0.1507000      0.6571000       2.194500    
 H    2.175900      0.7693000     -0.9861000    
 H    1.035800     -0.5290000      -1.342400    
 H    2.751700      -2.218300     -0.7463000    
 H    3.272600      -1.142200      -2.065800    
 H   -1.090600      0.6017000     -0.4545000    
 H   5.1600002E-02   4.666700      0.4152000    
 H    1.085100       4.100000     -0.9302000    
 H   -3.299600      -2.875100       1.257100    
 H   -3.077400      0.9327000     -0.7915000    
 H  -0.9414000       3.863500      -2.367900    
 H   -1.958200       4.420000      -1.045100    
 H  -0.7766000       5.533900      -1.774800    
 H   -5.321500      -3.426800     -3.7200000E-02
 H   -5.067600      0.3454000      -2.078800    
 H   -6.210700      -1.824600      -1.709500    
 H    6.395000      -3.014900      -1.286700    
 H    4.755300      -2.915600      -1.819100    
 H    7.301500      -1.693300      0.1902000    
 H    6.457700     -0.4002000      0.9769000    


%chk=000123880-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123880

0 1
O 0.009552 2.567157 -0.112526
O 1.491463 2.645398 1.685362
O -1.537888 -1.485653 2.009025
N -1.023316 0.251969 0.562474
N 4.144845 -0.786448 -0.197843
N 5.653228 -2.320578 -1.331889
N 6.476387 -0.569265 -0.000910
C 1.405136 -0.392039 0.892825
C 0.231765 0.570911 1.260428
C 1.741075 -0.445584 -0.610116
C 2.962466 -1.351316 -0.878865
C 0.649218 2.018487 1.009684
C -1.849384 -0.761370 1.006331
C -3.135194 -0.974613 0.243183
C 0.396218 3.968557 -0.469689
C -3.829470 -2.189521 0.474140
C -3.684123 -0.026357 -0.660164
C 5.341141 -1.228687 -0.503572
C -0.444304 4.369330 -1.677184
C -5.038353 -2.463154 -0.198177
C -4.896659 -0.298843 -1.331136
C -5.574306 -1.519726 -1.106580
H 2.307930 -0.079730 1.448075
H 1.115579 -1.396690 1.254048
H 0.054375 0.458915 2.346787
H 1.977182 0.568079 -0.988656
H 0.871006 -0.825278 -1.182047
H 2.729233 -2.374848 -0.499687
H 3.111406 -1.440551 -1.982634
H -1.244980 0.806123 -0.265336
H 0.212091 4.610331 0.410289
H 1.480039 3.978550 -0.683184
H -3.399306 -2.895148 1.192497
H -3.197051 0.942017 -0.828440
H -0.257721 3.695434 -2.530989
H -1.521293 4.344214 -1.437030
H -0.184122 5.398104 -1.986109
H -5.563822 -3.406770 -0.014487
H -5.316367 0.442158 -2.020528
H -6.514687 -1.729624 -1.628462
H 6.556873 -2.373775 -1.796446
H 4.906305 -2.923317 -1.663957
H 7.292290 -1.120198 0.264449
H 6.267142 0.255451 0.560644


