%chk=000063310.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063310

0 1
 O  -0.3372000      -3.331300      0.2040000    
 O    3.057400     -0.6006000      -1.994200    
 N   -3.522800      0.6453000     -0.1525000    
 N    1.800200      -1.535000       2.340600    
 N    2.076700      0.6247000       1.692000    
 N    2.434700      -1.147600      0.1423000    
 C   -4.776000       1.397200      3.1000001E-03
 C   -2.354500       1.506300      7.9000004E-02
 C   -4.887100       2.001300       1.403900    
 C   -2.386400       2.114100       1.482100    
 C   -3.682700       2.878300       1.726400    
 C   -3.453600      3.5100002E-02  -1.479900    
 C   -2.220000     -0.8123000      -1.644100    
 C   -1.851300      -1.685800     -0.6307000    
 C   -1.469500     -0.7078000      -2.806700    
 C  -0.7087000      -2.471200     -0.7831000    
 C  -0.3269000      -1.493200      -2.959000    
 C   5.3599998E-02  -2.374800      -1.947200    
 C  -0.6774000      -2.970400       1.541800    
 C   0.3849000      -3.524000       2.484300    
 C    1.776700      -2.971500       2.200000    
 C    2.120100     -0.7034000       1.331700    
 C    2.384300       1.605300      0.7473000    
 C    2.731000       1.209400     -0.5506000    
 C    2.754800     -0.2473000     -0.8586000    
 C    2.354200       2.966300       1.062700    
 C    3.045600       2.159600      -1.525900    
 C    2.667800       3.918000      9.0899996E-02
 C    3.012300       3.515300      -1.199700    
 H   -5.631700      0.7279000     -0.1480000    
 H   -4.849600       2.195100     -0.7477000    
 H   -1.409900      0.9574000      3.8999999E-03
 H   -2.314700       2.313500     -0.6651000    
 H   -5.806300       2.593000       1.480200    
 H   -4.962100       1.196300       2.146100    
 H   -2.284000       1.317200       2.230000    
 H   -1.531400       2.787000       1.613600    
 H   -3.703300       3.775200       1.095200    
 H   -3.730400       3.215400       2.767500    
 H   -3.492800      0.8084000      -2.259100    
 H   -4.320000     -0.6206000      -1.638000    
 H   -2.484500      -1.780300      0.2467000    
 H   -1.755400     -2.5500000E-02  -3.602000    
 H   0.2675000      -1.417700      -3.864900    
 H   0.9443000      -2.984400      -2.071700    
 H   9.7599998E-02  -3.296500       3.517900    
 H   0.4233000      -4.615600       2.387100    
 H  -0.7427000      -1.884300       1.681800    
 H   -1.647900      -3.415900       1.788800    
 H    2.121700      -3.310800       1.217000    
 H    2.477800      -3.396800       2.927400    
 H    1.565600      -1.155400       3.253200    
 H    1.824300      0.9133000       2.629200    
 H    2.086700       3.294900       2.063700    
 H    3.315800       1.866400      -2.536200    
 H    2.642900       4.975000      0.3401000    
 H    3.255000       4.259800      -1.952400    


%chk=000063310-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063310

0 1
O -0.183512 -2.820481 0.241880
O 3.648562 -0.935904 -2.028551
N -4.145514 0.645024 -0.193028
N 2.202970 -1.530263 2.395180
N 2.930651 0.605342 1.702776
N 2.964684 -1.262208 0.182498
C -5.576692 0.929960 0.077791
C -3.300279 1.850064 0.005899
C -5.776879 1.437243 1.520498
C -3.428858 2.386127 1.445776
C -4.906167 2.686442 1.788329
C -3.937383 0.028858 -1.526294
C -2.571811 -0.636395 -1.681009
C -2.020164 -1.370045 -0.600798
C -1.876374 -0.577947 -2.910550
C -0.787683 -2.042250 -0.765566
C -0.636423 -1.247970 -3.059188
C -0.081197 -1.979574 -1.992172
C -0.578547 -2.567924 1.632471
C 0.425962 -3.318222 2.515243
C 1.897744 -2.959574 2.206012
C 2.712394 -0.741067 1.378479
C 3.467041 1.490902 0.746689
C 3.742238 0.980007 -0.553635
C 3.454507 -0.459960 -0.869426
C 3.722372 2.849115 1.061927
C 4.279954 1.850512 -1.531786
C 4.257557 3.695611 0.072204
C 4.539740 3.200346 -1.228001
H -6.153004 -0.001306 -0.081176
H -5.981269 1.697623 -0.635756
H -2.252416 1.577083 -0.212935
H -3.589698 2.661114 -0.715394
H -6.847831 1.664241 1.685800
H -5.491635 0.630396 2.223543
H -3.033954 1.623760 2.145972
H -2.809007 3.297065 1.555231
H -5.264534 3.525302 1.155947
H -5.006001 3.010754 2.841737
H -4.077536 0.768512 -2.355998
H -4.727674 -0.738912 -1.655045
H -2.573628 -1.387195 0.343743
H -2.294282 -0.003023 -3.745831
H -0.085953 -1.181468 -4.003861
H 0.896233 -2.464928 -2.071564
H 0.177857 -3.120909 3.578815
H 0.310852 -4.406900 2.353601
H -0.551778 -1.475839 1.830159
H -1.608445 -2.935437 1.820822
H 2.120808 -3.175813 1.149224
H 2.569620 -3.572135 2.839225
H 2.095733 -1.132624 3.329507
H 2.695393 0.967840 2.628480
H 3.507119 3.235520 2.065768
H 4.478754 1.429247 -2.522875
H 4.457282 4.745810 0.312222
H 4.956103 3.868447 -1.988809


