%chk=000101978.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101978

0 1
 O    1.000300      4.0899999E-02  3.9999999E-04
 O  -0.2039000       1.963100      0.3841000    
 N   -3.783800     -7.9999998E-02 -2.9300001E-02
 C    3.435500     -0.1632000     -4.0399998E-02
 C    2.216800      0.7629000      0.1446000    
 C    4.740300      0.6351000      0.1197000    
 C    3.387700     -0.7768000      -1.448600    
 C    3.410900      -1.291500       1.004500    
 C  -0.1484000      0.7650000      0.1450000    
 C   -1.338200     -0.1218000     -3.3799998E-02
 C   -2.542300      0.4635000      8.1299998E-02
 C   -1.127500      -1.578800     -0.3249000    
 C   -4.229800      -1.153400      0.8537000    
 C   -4.817600      0.5350000     -0.8565000    
 H    2.245200       1.569700     -0.5991000    
 H    2.245900       1.217100       1.143300    
 H    4.799800       1.444600     -0.6164000    
 H    5.618500     -5.9000002E-03 -1.7200001E-02
 H    4.806700       1.085400       1.116400    
 H    3.382800      1.8000000E-03  -2.219700    
 H    4.259800      -1.415700      -1.628800    
 H    2.494800      -1.395400      -1.591700    
 H    3.418900     -0.8857000       2.022300    
 H    4.283900      -1.945700      0.8996000    
 H    2.517500      -1.917400      0.9015000    
 H   -2.617200       1.542300      0.1899000    
 H  -0.4735000      -1.705800      -1.194500    
 H   -2.057800      -2.104600     -0.5571000    
 H  -0.6663000      -2.076100      0.5345000    
 H   -3.441000      -1.484300       1.538300    
 H   -4.552600      -2.017300      0.2635000    
 H   -5.074300     -0.8150000       1.463600    
 H   -5.533100     -0.2155000      -1.208900    
 H   -4.380900       1.015700      -1.738900    
 H   -5.361400       1.291200     -0.2810000    


%chk=000101978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101978

0 1
O 1.033993 -0.056598 -0.124766
O -0.198558 1.918142 0.034145
N -3.869565 -0.017679 0.042480
C 3.489269 -0.156294 -0.045583
C 2.260992 0.777057 -0.114092
C 4.750597 0.748634 -0.050408
C 3.515533 -1.098248 -1.277264
C 3.447370 -0.992822 1.259157
C -0.186611 0.653102 -0.049086
C -1.353114 -0.249747 -0.085763
C -2.566037 0.426535 -0.029287
C -1.129283 -1.749802 -0.210874
C -4.279835 -1.418159 0.225332
C -4.974538 0.934735 -0.161134
H 2.275468 1.394964 -1.032859
H 2.221090 1.458781 0.756580
H 4.808679 1.354367 -0.974837
H 5.665451 0.130494 0.007532
H 4.753335 1.440119 0.813642
H 3.555152 -0.519408 -2.219812
H 4.403931 -1.756466 -1.243204
H 2.612163 -1.732215 -1.303208
H 3.458549 -0.338451 2.151610
H 4.324386 -1.664443 1.317222
H 2.531777 -1.608270 1.297549
H -2.475820 1.521294 -0.028413
H -0.164958 -1.934690 -0.709416
H -1.917413 -2.236914 -0.809678
H -1.078561 -2.258114 0.772669
H -3.504822 -1.979028 0.764980
H -4.485875 -1.927271 -0.738423
H -5.206934 -1.444898 0.828269
H -5.518035 0.726850 -1.105563
H -4.582174 1.962820 -0.211797
H -5.699901 0.875021 0.673697


