%chk=000116987.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116987

0 1
 O   -2.464600       1.966500      0.4573000    
 O   -2.143900      -2.652100      0.2924000    
 O    2.864300       2.712700      8.4700003E-02
 O    3.239400      -2.619000     -0.1045000    
 N   -2.731400     -0.3747000      0.4122000    
 N   -7.008900      0.4669000     -2.4400000E-02
 C   -4.172500     -0.4801000      0.5248000    
 C  -0.6353000      0.4720000      0.2786000    
 C  -0.5380000     -0.9091000      0.2291000    
 C   -4.867700     -0.4803000     -0.8352000    
 C   -2.050500      0.8239000      0.3936000    
 C   -1.889400      -1.462100      0.3118000    
 C    1.727300      0.6572000      0.1078000    
 C    1.826300     -0.7498000      5.7300001E-02
 C   0.4774000       1.285900      0.2202000    
 C   0.6772000      -1.553400      0.1183000    
 C   -6.390900     -0.6248000     -0.7671000    
 C    2.945600       1.491000      4.1999999E-02
 C    3.149000      -1.398200     -6.1299998E-02
 C    4.263000      0.8345000     -7.5900003E-02
 C    4.360900     -0.5571000     -0.1257000    
 C    5.421700       1.618500     -0.1391000    
 C    5.617500      -1.164600     -0.2387000    
 C   -8.463900      0.3084000      9.9999998E-03
 C   -6.653100       1.758600     -0.6146000    
 C    6.671500       1.009000     -0.2518000    
 C    6.769100     -0.3798000     -0.3017000    
 H   -4.522800      0.3605000       1.133100    
 H   -4.409500      -1.408500       1.057100    
 H   -4.484700      -1.334100      -1.411500    
 H   -4.568500      0.3973000      -1.420100    
 H   0.3750000       2.364700      0.2604000    
 H   0.7267000      -2.636000      8.1000000E-02
 H   -6.625700      -1.579900     -0.2804000    
 H   -6.785800     -0.6814000      -1.790100    
 H    5.372600       2.703500     -0.1025000    
 H    5.721000      -2.245600     -0.2797000    
 H   -8.907900      0.3422000     -0.9917000    
 H   -8.923100       1.095600      0.6183000    
 H   -8.735900     -0.6452000      0.4763000    
 H   -7.219600       2.564900     -0.1326000    
 H   -6.866400       1.799900      -1.689100    
 H   -5.602400       2.013600     -0.4469000    
 H    7.569500       1.618200     -0.3008000    
 H    7.743200     -0.8523000     -0.3896000    


%chk=000116987-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116987

0 1
O -2.702849 1.813915 0.069229
O -2.210575 -2.858876 0.413730
O 2.791060 2.775341 -0.206982
O 3.363201 -2.695862 0.197070
N -2.801238 -0.556247 0.261731
N -6.949299 0.539996 -0.008046
C -4.265864 -0.696551 0.318835
C -0.669064 0.371562 0.108861
C -0.521463 -1.037012 0.211975
C -4.924047 -0.531188 -1.069594
C -2.135534 0.695053 0.136912
C -1.888619 -1.650758 0.308740
C 1.732118 0.620089 0.001478
C 1.880369 -0.797700 0.105778
C 0.439469 1.214780 0.003302
C 0.738811 -1.639629 0.212538
C -6.463354 -0.489706 -0.957352
C 2.930135 1.515412 -0.112460
C 3.238982 -1.434395 0.105477
C 4.279921 0.876630 -0.110446
C 4.428008 -0.538227 -0.005487
C 5.430314 1.697046 -0.214505
C 5.723996 -1.110741 -0.006400
C -8.387484 0.381297 0.287331
C -6.612996 1.921917 -0.415410
C 6.715678 1.119444 -0.214651
C 6.862877 -0.287510 -0.110368
H -4.674973 0.065561 1.004329
H -4.479306 -1.696541 0.735467
H -4.638166 -1.373342 -1.727723
H -4.549402 0.394487 -1.542682
H 0.344559 2.301768 -0.076390
H 0.871421 -2.722711 0.291487
H -6.829050 -1.471620 -0.597547
H -6.890010 -0.341145 -1.984252
H 5.288696 2.779456 -0.293123
H 5.809390 -2.198838 0.075032
H -9.045417 0.546473 -0.603928
H -8.687930 1.102124 1.068570
H -8.580357 -0.637390 0.669335
H -7.014262 2.628452 0.332453
H -7.037801 2.196160 -1.414476
H -5.519065 2.063089 -0.450623
H 7.602162 1.757189 -0.295100
H 7.862759 -0.733858 -0.110814


