%chk=000020131.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020131

1 1
 O    2.299500       1.255500      -1.341900    
 O   -2.212700      0.7971000      -1.506900    
 N  -0.1136000       2.122000     -0.1738000    
 N    2.582700     -0.2956000      0.4003000    
 N   -3.457100      0.7690000      0.4861000    
 C   0.4528000      0.7360000      9.8800004E-02
 C   -1.548500       2.191700      0.3288000    
 C   0.7278000       3.164900      0.5478000    
 C  -8.6499996E-02   2.395400      -1.670600    
 C    1.880600      0.6150000     -0.3835000    
 C   -2.427800       1.172300     -0.3592000    
 C    3.937600     -0.6821000      0.2686000    
 C   -4.482200     -0.1671000      0.2110000    
 C    4.917100      2.4200000E-02  0.9506000    
 C    4.263000      -1.761000     -0.5399000    
 C   -5.032700     -0.9197000       1.235900    
 C    6.252700     -0.3571000      0.8211000    
 C    5.598500      -2.142600     -0.6693000    
 C   -4.915900     -0.3073000      -1.098100    
 C    4.584000       1.189200       1.825500    
 C    3.220100      -2.532800      -1.281700    
 C    6.593300      -1.440500      1.1200000E-02
 C   -6.042900      -1.836300      0.9449000    
 C   -4.573700     -0.7780000       2.651000    
 C   -5.926300      -1.223700      -1.389200    
 C   -6.489800      -1.988300     -0.3677000    
 H  -0.1434000     -1.9900000E-02 -0.4208000    
 H   0.3850000      0.5669000       1.180000    
 H   -1.516000       2.030300       1.412300    
 H   -1.934400       3.197800      0.1281000    
 H    1.748500       3.170300      0.1585000    
 H   0.2680000       4.144300      0.3815000    
 H   0.7299000       2.928700       1.616400    
 H  -0.9308000       3.043100      -1.930600    
 H   0.8222000       2.949900      -1.926000    
 H  -0.1218000       1.464000      -2.242600    
 H    2.049600     -0.8684000       1.051200    
 H   -3.367400       1.036200       1.462900    
 H    7.040800      0.1791000       1.343200    
 H    5.881900      -2.983600      -1.296600    
 H   -4.527100      0.2933000      -1.913500    
 H    3.846100      0.9044000       2.582900    
 H    5.464500       1.563400       2.359100    
 H    4.186500       2.014700       1.226000    
 H    3.646200      -3.396400      -1.804000    
 H    2.461100      -2.916600     -0.5918000    
 H    2.738700      -1.898900      -2.033500    
 H    7.633200      -1.737200     -8.9800000E-02
 H   -6.494000      -2.439200       1.728500    
 H   -3.493800     -0.9441000       2.726200    
 H   -5.055700      -1.509400       3.309100    
 H   -4.818200      0.2178000       3.035000    
 H   -6.280300      -1.336700      -2.409800    
 H   -7.278000      -2.700400     -0.5942000    


%chk=000020131-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020131

1 1
O 2.782668 1.950366 0.123624
O -1.487297 -0.689592 0.316694
N -0.060027 1.836392 0.794038
N 2.920688 -0.383982 0.334143
N -3.519241 0.434693 0.712182
C 0.933247 0.720054 1.203359
C -1.440138 1.516548 1.405434
C 0.401915 3.184491 1.371029
C -0.166152 1.955190 -0.731856
C 2.298680 0.832072 0.484832
C -2.152915 0.311435 0.739928
C 4.243384 -0.603114 -0.216465
C -4.504725 -0.521201 0.282639
C 5.382363 0.032493 0.353760
C 4.344950 -1.520080 -1.304099
C -5.873341 -0.122697 0.399104
C 6.644650 -0.247195 -0.227421
C 5.626916 -1.776223 -1.840764
C -4.147860 -1.793576 -0.231155
C 5.286180 0.956153 1.550275
C 3.113405 -2.196475 -1.881854
C 6.770532 -1.137318 -1.313406
C -6.863199 -1.042489 -0.014410
C -6.267577 1.239578 0.949406
C -5.163925 -2.685138 -0.632730
C -6.522235 -2.314750 -0.526729
H 0.415821 -0.229421 0.981783
H 1.076401 0.819491 2.294839
H -1.267764 1.299688 2.475530
H -2.034679 2.443704 1.330673
H 1.429663 3.357078 1.019351
H -0.277505 3.972565 1.010420
H 0.370994 3.128604 2.470759
H -0.973466 2.666500 -0.967053
H 0.795122 2.328017 -1.110618
H -0.395111 0.964679 -1.148995
H 2.364854 -1.225818 0.519646
H -3.917134 1.311789 1.061656
H 7.536263 0.231746 0.191692
H 5.725944 -2.472555 -2.680487
H -3.096684 -2.072174 -0.313065
H 4.604853 0.555129 2.324429
H 6.276344 1.098100 2.013116
H 4.897990 1.946983 1.250545
H 3.378316 -2.788867 -2.772263
H 2.638859 -2.896491 -1.163689
H 2.344268 -1.461116 -2.184793
H 7.757161 -1.340900 -1.742032
H -7.917426 -0.756104 0.067368
H -5.936771 1.386027 1.998098
H -7.363391 1.350065 0.952497
H -5.872326 2.075988 0.337152
H -4.889923 -3.667979 -1.029096
H -7.310321 -3.006762 -0.839519


