%chk=000052081.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052081

0 1
 O    1.917000      0.3209000      -1.623500    
 O   -2.795200       2.610900     -0.1298000    
 O   -2.817000      -2.153200     -0.6209000    
 O   -4.197100      0.2308000     -0.3299000    
 N    2.131200      9.7900003E-02  0.6953000    
 C    3.565600      7.5199999E-02  0.6737000    
 C    1.494700     -1.4900000E-02   2.016300    
 C    4.050900      -1.023300     -0.2256000    
 C    4.098700       1.303600     -3.7000000E-03
 C    1.407700      0.2241000     -0.5076000    
 C  -6.3100003E-02  0.2251000     -0.4609000    
 C    4.759100     -0.4910000      -1.232400    
 C    4.788700      0.9427000      -1.095600    
 C  -0.7485000     -0.9757000     -0.5625000    
 C  -0.7375000       1.427700     -0.3165000    
 C   -2.131700       1.429600     -0.2728000    
 C   -2.142800     -0.9738000     -0.5189000    
 C    1.258300      -1.456400       2.322300    
 C   -2.834400      0.2289000     -0.3741000    
 C   5.2400000E-02  -1.976400       2.577600    
 C   -3.070400       3.042500       1.201400    
 C   -3.175200      -2.583700      -1.932500    
 C   -4.811400     -0.5115000      0.7208000    
 H    3.990000     -3.2499999E-02   1.677600    
 H   0.5607000      0.5541000       2.030700    
 H    2.145900      0.4350000       2.773900    
 H    3.872100      -2.078300     -7.8500003E-02
 H    3.961900       2.317800      0.3412000    
 H    5.237200      -1.035000      -2.030700    
 H    5.291700       1.607700      -1.778700    
 H  -0.2108000      -1.912900     -0.6805000    
 H  -0.1906000       2.363800     -0.2380000    
 H    2.121600      -2.116600       2.350400    
 H  -5.3900000E-02  -3.033000       2.797900    
 H  -0.8429000      -1.364600       2.579000    
 H   -3.701200       2.314800       1.721200    
 H   -2.138500       3.194700       1.755200    
 H   -3.605500       3.994500       1.149100    
 H   -2.279200      -2.748500      -2.539400    
 H   -3.718300      -3.528700      -1.846400    
 H   -3.826700      -1.848600      -2.415600    
 H   -4.162500     -0.6019000       1.599100    
 H   -5.719200      1.9700000E-02   1.021700    
 H   -5.103300      -1.501500      0.3595000    


%chk=000052081-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052081

0 1
O 1.909834 1.339013 -1.057605
O -2.879436 2.925497 -0.079888
O -2.859538 -2.018800 0.263852
O -4.352982 0.454383 0.193213
N 2.211586 -0.266866 0.589920
C 3.675118 -0.221551 0.346596
C 1.778410 -0.930216 1.851161
C 4.172000 -0.565292 -1.054212
C 4.413479 1.081465 0.664316
C 1.397773 0.546176 -0.206696
C -0.101688 0.463440 -0.052000
C 5.175012 0.304677 -1.393934
C 5.321968 1.325453 -0.332537
C -0.798418 -0.765555 0.054237
C -0.829470 1.672404 -0.154193
C -2.239059 1.674683 -0.083325
C -2.206440 -0.772917 0.104209
C 1.855012 -2.447189 1.794823
C -2.942629 0.445578 0.078522
C 0.846850 -3.281027 2.149169
C -3.968900 3.126513 -1.061672
C -3.767171 -2.394471 -0.846346
C -4.845594 0.058805 1.536725
H 4.112436 -0.994971 1.020039
H 0.755004 -0.608223 2.097347
H 2.436598 -0.562491 2.667561
H 3.797946 -1.417947 -1.625184
H 4.253090 1.657480 1.578873
H 5.766849 0.276645 -2.312404
H 6.036169 2.152523 -0.364503
H -0.274327 -1.725336 0.071903
H -0.302688 2.620118 -0.294572
H 2.812014 -2.872397 1.456337
H 0.964574 -4.369773 2.111541
H -0.127752 -2.902894 2.482043
H -3.570542 3.041969 -2.090901
H -4.780357 2.396809 -0.904599
H -4.326092 4.152051 -0.883002
H -3.190515 -2.510294 -1.783418
H -4.202641 -3.361573 -0.552250
H -4.559375 -1.636729 -0.981475
H -4.489016 0.779217 2.295596
H -5.943648 0.093481 1.468972
H -4.504946 -0.961868 1.786664


