%chk=000030375.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030375

0 1
 O   0.2555000     -0.1359000     -9.6699998E-02
 O   -1.144200     -0.6657000       1.632500    
 N    5.121500     -0.3593000     -6.0400002E-02
 N   -1.960600      5.4699998E-02 -0.4399000    
 C    2.643100     -0.2150000     -0.1024000    
 C    2.729400       1.241900     -0.5704000    
 C    3.891800     -0.5966000      0.7105000    
 C    4.047000       1.492800      -1.295800    
 C    5.240800       1.052500     -0.4487000    
 C    1.373200     -0.4447000      0.7147000    
 C    6.294900     -0.7799000      0.7053000    
 C    7.563700     -0.6532000     -0.1208000    
 C  -0.9866000     -0.2859000      0.4786000    
 C   -3.363200      4.4399999E-02 -0.2653000    
 C   -4.080400      -1.105500     -0.5640000    
 C   -4.001900       1.184300      0.2019000    
 C   -5.464400      -1.115800     -0.3918000    
 C   -5.386100       1.174100      0.3743000    
 C   -3.409800      -2.342300      -1.068400    
 C   -3.246300       2.431400      0.5293000    
 C   -6.117400      2.3900000E-02  7.7399999E-02
 H    2.593900     -0.8494000     -0.9990000    
 H    2.655900       1.918700      0.2905000    
 H    1.898200       1.486600      -1.241700    
 H    3.912400     -3.4899998E-02   1.654400    
 H    3.823500      -1.661100      0.9685000    
 H    4.049500      0.9482000      -2.248700    
 H    4.137200       2.558100      -1.537000    
 H    6.127100       1.224900      -1.067300    
 H    5.324800       1.697800      0.4357000    
 H    1.369800      0.1922000       1.607600    
 H    1.316700      -1.494100       1.028000    
 H    6.399900     -0.2105000       1.637300    
 H    6.183700      -1.835800      0.9818000    
 H    7.445000      -1.092400      -1.117300    
 H    7.893300      0.3847000     -0.2265000    
 H    8.378800      -1.190300      0.3772000    
 H   -1.642700      0.3511000      -1.359100    
 H   -6.049700      -2.003400     -0.6173000    
 H   -5.910900       2.052800      0.7397000    
 H   -2.749900      -2.758700     -0.3002000    
 H   -4.134600      -3.119000      -1.335700    
 H   -2.825400      -2.124500      -1.968600    
 H   -2.579300       2.260900       1.380700    
 H   -2.656500       2.762400     -0.3320000    
 H   -3.916400       3.256000      0.7961000    
 H   -7.195100      1.5799999E-02  0.2120000    


%chk=000030375-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030375

0 1
O 0.231801 0.096636 -0.088724
O -1.185258 0.033078 1.795923
N 5.147761 -0.300166 0.074375
N -2.005600 0.078555 -0.429798
C 2.661533 -0.016249 -0.039716
C 2.842082 1.200921 -0.976632
C 3.903130 -0.168907 0.871827
C 4.170007 1.085490 -1.755102
C 5.356873 0.889030 -0.790778
C 1.403595 0.091241 0.827269
C 6.315124 -0.599345 0.945364
C 7.562731 -1.054241 0.165542
C -1.027265 0.068368 0.551602
C -3.423389 -0.010486 -0.211418
C -4.131541 -1.038481 -0.904007
C -4.098431 0.930082 0.620297
C -5.532346 -1.128768 -0.734590
C -5.500465 0.787750 0.777467
C -3.395325 -2.023361 -1.795911
C -3.370494 2.071925 1.299049
C -6.216070 -0.228732 0.111626
H 2.585820 -0.932155 -0.658500
H 2.850666 2.128495 -0.364737
H 1.983400 1.276182 -1.667557
H 3.952991 0.714044 1.567614
H 3.800209 -1.075407 1.499300
H 4.124861 0.218938 -2.442535
H 4.340267 1.991573 -2.367805
H 6.286780 0.748036 -1.368403
H 5.485322 1.817134 -0.169138
H 1.389926 1.026124 1.420356
H 1.302893 -0.762779 1.523194
H 6.577403 0.279871 1.591672
H 6.009239 -1.414875 1.628940
H 7.306937 -1.895485 -0.502496
H 7.995081 -0.243736 -0.447744
H 8.346926 -1.389923 0.868756
H -1.656311 -0.021898 -1.385575
H -6.084188 -1.917885 -1.258518
H -6.032582 1.500026 1.418792
H -2.551309 -2.499327 -1.262811
H -4.074574 -2.820345 -2.141598
H -2.976820 -1.539185 -2.701874
H -2.792072 1.708639 2.167574
H -2.646284 2.549491 0.612915
H -4.083549 2.840675 1.641957
H -7.300286 -0.314267 0.243557


