%chk=000019632.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019632

0 1
 O   0.1722000     -0.2343000      -1.741700    
 O   -5.072300       2.813700     -0.1258000    
 O    2.728000      -1.241400     -0.6681000    
 N   -3.082400      -3.061400     -0.1827000    
 N  -4.8599999E-02 -0.9910000      0.4364000    
 N    2.522500      0.9329000      0.1312000    
 C   -2.317900      -1.867700      0.1551000    
 C   -2.796600      -4.142400      0.7627000    
 C   -4.517000      -2.768400     -0.1989000    
 C  -0.8269000      -2.170300      0.1312000    
 C   -3.536300      -5.413900      0.3828000    
 C   -4.837600      -1.648300      -1.174100    
 C   0.3907000     -0.1115000     -0.5382000    
 C    1.166700       1.051900      1.8000000E-03
 C   0.4751000       2.156700      0.3324000    
 C  -0.9799000       2.328600      0.2118000    
 C    3.222900     -0.2127000     -0.2138000    
 C   -1.514100       2.806600     -0.9757000    
 C   -1.795200       2.010300       1.288000    
 C    4.695300     -0.1460000     -2.4100000E-02
 C   -2.894700       2.970200      -1.089400    
 C   -3.175800       2.173800       1.174100    
 C   -3.725500       2.653800     -1.4500000E-02
 C    5.390000      -1.314200      0.2100000    
 C    5.319400       1.082100     -8.8200003E-02
 C    6.772100      -1.251400      0.3884000    
 C    6.701500       1.145000      8.9900002E-02
 C    7.427700     -2.1800000E-02  0.3283000    
 C   -5.863300       2.471100       1.011400    
 H   -2.604600      -1.467600       1.137100    
 H   -2.480900      -1.068300     -0.5758000    
 H   -1.741700      -4.427400      0.7343000    
 H   -3.039600      -3.862400       1.795300    
 H   -5.083800      -3.636900     -0.5496000    
 H   -4.892900      -2.506300      0.7981000    
 H  -0.5181000      -2.558800     -0.8461000    
 H  -0.5244000      -2.883900      0.9011000    
 H   -4.604100      -5.363000      0.6171000    
 H   -3.415300      -5.653000     -0.6795000    
 H   -3.133300      -6.258000      0.9542000    
 H   -4.556700     -0.6633000     -0.7883000    
 H   -4.357100      -1.803200      -2.146300    
 H   -5.919100      -1.614200      -1.348400    
 H   0.1685000     -0.8031000       1.411200    
 H   0.9990000       3.023400      0.7301000    
 H    3.001500       1.730900      0.5375000    
 H  -0.8778000       3.056800      -1.820500    
 H   -1.378300       1.634800       2.218900    
 H   -3.317300       3.344200      -2.018000    
 H   -3.762500       1.907500       2.046600    
 H    4.893400      -2.278300      0.2649000    
 H    4.799400       2.008300     -0.3088000    
 H    7.337500      -2.159800      0.5749000    
 H    7.213900       2.101100      3.4600001E-02
 H    8.504000      2.6900001E-02  0.4653000    
 H   -6.908800       2.660200      0.7467000    
 H   -5.781900       1.405300       1.250800    
 H   -5.630300       3.108900       1.870800    


%chk=000019632-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019632

0 1
O 0.330140 -0.598740 -1.331281
O -5.257589 3.170605 1.496104
O 2.781938 -1.364033 0.721855
N -3.109839 -3.392993 -0.731577
N -0.447549 -1.134715 0.800554
N 2.365440 0.897158 0.336058
C -2.446231 -2.116055 -0.381237
C -4.072483 -3.851874 0.301916
C -3.636522 -3.433134 -2.120004
C -1.117666 -2.376567 0.373988
C -4.279502 -5.379193 0.306126
C -2.516059 -3.563587 -3.170099
C 0.265217 -0.361999 -0.082963
C 0.959120 0.848528 0.529016
C 0.318902 1.918977 1.108605
C -1.120221 2.214314 1.198325
C 3.202734 -0.226342 0.351432
C -2.101852 1.689879 0.300780
C -1.567413 3.117677 2.202390
C 4.625374 0.018812 -0.066209
C -3.457088 2.025989 0.431397
C -2.927213 3.461811 2.349822
C -3.881197 2.906228 1.460916
C 5.614929 -0.879344 0.409970
C 5.005643 1.079176 -0.931414
C 6.966923 -0.705069 0.051410
C 6.360056 1.249812 -1.293053
C 7.344313 0.363951 -0.796525
C -5.746240 4.090949 2.525932
H -3.102886 -1.457294 0.234928
H -2.202768 -1.560986 -1.303766
H -3.668906 -3.551611 1.288014
H -5.062790 -3.337302 0.199846
H -4.305130 -4.309421 -2.204586
H -4.263787 -2.533278 -2.345998
H -0.443985 -2.939366 -0.295788
H -1.304337 -2.993736 1.270735
H -4.714573 -5.739440 -0.643570
H -3.312615 -5.891614 0.452043
H -4.967206 -5.673935 1.121067
H -1.802857 -2.720828 -3.117265
H -1.948240 -4.495375 -3.002508
H -2.941286 -3.583541 -4.191361
H -0.373544 -0.913442 1.794207
H 0.971204 2.687335 1.553640
H 2.796331 1.816465 0.220995
H -1.795009 1.042938 -0.525696
H -0.833403 3.552616 2.892464
H -4.207230 1.635516 -0.263128
H -3.225087 4.154747 3.142373
H 5.296586 -1.708440 1.050460
H 4.248146 1.741162 -1.368587
H 7.725454 -1.400409 0.426976
H 6.644923 2.061344 -1.971512
H 8.394550 0.497606 -1.078701
H -6.832207 4.152275 2.363740
H -5.541966 3.702611 3.542798
H -5.294744 5.095984 2.414442


