%chk=000017688.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017688

0 1
 O  -0.9227000       1.420100      -1.546700    
 O   -4.188900      -2.416100     -0.6016000    
 O   -4.939800      -1.593500       1.374800    
 O    5.873700      -1.884800      -1.110200    
 N   -5.368500      0.8634000      0.4404000    
 N  -0.1899000       1.405300      0.6590000    
 N    1.036900       1.902000      0.3272000    
 C   -3.409000      0.4385000     -0.9878000    
 C   -4.766100     -8.0300003E-02 -0.5008000    
 C   -2.423400      0.6543000      0.1622000    
 C   -1.106700       1.197300     -0.3520000    
 C   -4.635400      -1.417000      0.2008000    
 C    2.142900       1.043500      0.3051000    
 C    4.354200     -0.6733000      0.2607000    
 C    1.961500     -0.3446000      0.3159000    
 C    3.442100       1.564000      0.2717000    
 C    3.063200      -1.199900      0.2939000    
 C    4.543800      0.7086000      0.2496000    
 C    5.532100      -1.587700      0.2380000    
 H   -2.980600     -0.2719000      -1.706700    
 H   -3.555500       1.379900      -1.533700    
 H   -5.446400     -0.2097000      -1.350100    
 H   -2.815300       1.372100      0.8915000    
 H   -2.218000     -0.2874000      0.6837000    
 H   -6.310300      0.5547000      0.6791000    
 H   -5.473200       1.773000     -7.7000000E-03
 H  -0.3603000       1.235600       1.644300    
 H    1.167100       2.903800      0.3855000    
 H   0.9736000     -0.7969000      0.3356000    
 H    3.604600       2.639100      0.2622000    
 H    2.902900      -2.274900      0.2999000    
 H    5.544800       1.131100      0.2220000    
 H    6.396900      -1.127900      0.7292000    
 H    5.313400      -2.524400      0.7625000    
 H   -4.132000      -3.271100     -0.1242000    
 H    6.642100      -2.480200      -1.084900    


%chk=000017688-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017688

0 1
O -0.846754 1.743015 -1.102421
O -4.430247 -2.300776 0.294445
O -5.952603 -0.868846 1.301409
O 6.852653 -0.759767 -0.319164
N -5.385535 1.162233 -0.461973
N -0.233420 1.122618 1.052055
N 1.051285 1.681769 0.961670
C -3.203070 0.018282 -0.903814
C -4.745433 -0.125465 -0.732257
C -2.538494 0.654868 0.331551
C -1.152497 1.204920 0.001865
C -5.117232 -1.086749 0.395449
C 2.150587 0.853030 0.590918
C 4.440191 -0.727737 -0.035786
C 2.069627 -0.562026 0.615593
C 3.385579 1.470889 0.259411
C 3.208930 -1.335039 0.307784
C 4.511768 0.686428 -0.055074
C 5.637154 -1.582952 -0.411731
H -2.766343 -0.970597 -1.128129
H -3.010128 0.674159 -1.772749
H -5.118351 -0.621965 -1.662102
H -3.189016 1.496937 0.648586
H -2.486663 -0.063586 1.173258
H -6.188698 1.127710 0.170099
H -5.482758 1.785613 -1.263180
H -0.527674 0.805224 1.978734
H 1.044142 2.622265 0.553282
H 1.121169 -1.049943 0.860354
H 3.462009 2.565376 0.250595
H 3.129076 -2.429828 0.334219
H 5.465897 1.159076 -0.303978
H 5.700005 -2.459269 0.269393
H 5.513800 -1.967558 -1.449655
H -4.736727 -2.910558 1.019067
H 7.621572 -1.267049 -0.679328


