%chk=000034772.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034772

0 1
 O    2.696800      -2.237500      0.1359000    
 O   -8.148700     -0.7996000     -0.7001000    
 N  -0.5544000      0.4491000      0.5735000    
 C    1.856800     -1.8500000E-02  0.5903000    
 C    2.123200       1.327300     -8.2400002E-02
 C    3.501100       1.852900      0.3015000    
 C   0.4648000     -0.5280000      0.2230000    
 C    2.926600      -1.032900      0.1994000    
 C    4.576300      0.8452000      1.9999999E-04
 C    4.305300     -0.5308000     -4.3699998E-02
 C   -1.883100     -3.0099999E-02  0.2150000    
 C    5.892800       1.284700     -0.2014000    
 C    5.331600      -1.445100     -0.3130000    
 C   -2.955600       1.002400      0.5709000    
 C    6.914100      0.3722000     -0.4669000    
 C    6.632700     -0.9903000     -0.5256000    
 C   -4.336600      0.5229000      0.2329000    
 C   -4.868800      0.7880000      -1.023700    
 C   -5.071300     -0.1819000       1.179700    
 C   -6.152700      0.3426000      -1.337800    
 C   -6.355200     -0.6275000      0.8657000    
 C   -6.896000     -0.3653000     -0.3932000    
 H    1.920000      9.7400002E-02   1.681200    
 H    1.381500       2.079200      0.2096000    
 H    2.063400       1.220800      -1.174200    
 H    3.530800       2.090600       1.371700    
 H    3.689500       2.780700     -0.2518000    
 H   0.2728000      -1.473100      0.7470000    
 H   0.4275000     -0.7442000     -0.8528000    
 H  -0.5163000      0.6467000       1.573000    
 H   -1.926600     -0.2369000     -0.8619000    
 H   -2.095600     -0.9721000      0.7367000    
 H    6.130000       2.344900     -0.1552000    
 H    5.139900      -2.513800     -0.3562000    
 H   -2.756900       1.947400      4.7499999E-02
 H   -2.906900       1.244200       1.641200    
 H    7.928900      0.7249000     -0.6265000    
 H    7.428300      -1.700300     -0.7323000    
 H   -4.297900       1.336800      -1.767600    
 H   -4.659200     -0.3934000       2.162500    
 H   -6.562300      0.5531000      -2.322000    
 H   -6.929100      -1.178800       1.605600    
 H   -8.361400     -0.5305000      -1.610300    


%chk=000034772-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034772

0 1
O 2.838142 -2.292314 0.352313
O -8.309201 -0.624129 -0.833502
N -0.565338 0.251354 0.683253
C 1.895200 -0.030877 0.470243
C 2.136269 1.243789 -0.373956
C 3.480553 1.899072 -0.001438
C 0.507577 -0.661438 0.219174
C 3.036977 -1.042049 0.277851
C 4.636657 0.914253 -0.105685
C 4.408831 -0.489414 0.026061
C -1.933263 -0.160046 0.299048
C 5.958867 1.367496 -0.334127
C 5.497137 -1.399544 -0.067757
C -2.976185 0.871142 0.800455
C 7.035480 0.459096 -0.423053
C 6.805146 -0.933307 -0.288516
C -4.391390 0.515390 0.371909
C -4.919237 0.986357 -0.856127
C -5.208782 -0.333480 1.164655
C -6.215487 0.625885 -1.286240
C -6.504793 -0.704849 0.753778
C -7.006927 -0.223299 -0.476423
H 1.946189 0.271896 1.544397
H 1.292891 1.936695 -0.207790
H 2.136393 0.973366 -1.449291
H 3.418236 2.277849 1.041678
H 3.679584 2.780777 -0.638776
H 0.472797 -1.668640 0.690868
H 0.373889 -0.817140 -0.869540
H -0.500888 0.401957 1.702135
H -1.978112 -0.214172 -0.806323
H -2.211870 -1.174692 0.678583
H 6.143483 2.442702 -0.448050
H 5.279936 -2.467642 0.038796
H -2.682699 1.864006 0.411889
H -2.917344 0.926390 1.906715
H 8.050540 0.831749 -0.602063
H 7.639975 -1.638828 -0.358240
H -4.311702 1.648282 -1.485294
H -4.827019 -0.706102 2.123258
H -6.605904 1.006435 -2.239665
H -7.136685 -1.355470 1.365661
H -8.567822 -0.235106 -1.705465


