%chk=000152559.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152559

0 1
 O    2.386600     -0.8740000      0.1165000    
 O    2.566100      -2.955400       1.083200    
 N   -3.588800      -2.292000     -0.4934000    
 N    5.543500       1.031500      3.4400001E-02
 C   -2.806000     -0.2312000     -0.1402000    
 C   -3.939700     -0.9790000     -0.3924000    
 C   -5.323100     -0.4603000     -0.5464000    
 C   -5.470800      0.8227000      0.2863000    
 C   -2.961100       1.214500     -9.8999999E-03
 C   -1.712900      -1.148400     -4.2100001E-02
 C   -4.266100       1.742500      0.1711000    
 C   -2.235600      -2.428000     -0.2779000    
 C  -0.3317000      -1.044000      0.2356000    
 C   -1.874900       2.091200     -9.2100002E-02
 C   -4.442200       3.125700      0.3107000    
 C   -1.448600      -3.586400     -0.2688000    
 C   0.4660000      -2.194900      0.2488000    
 C  -8.5600004E-02  -3.446600     -3.0000000E-03
 C   -2.069500       3.468800      3.3799998E-02
 C   -3.347200       3.984200      0.2395000    
 C    4.135000      0.7414000     -0.1885000    
 C    1.888100      -2.077800      0.5336000    
 C    3.780800     -0.6390000      0.3409000    
 C    5.876500       2.377700     -0.4375000    
 C    6.389100      3.8699999E-02 -0.6329000    
 C    5.011800       3.426800      0.2407000    
 C    7.860300      0.2915000     -0.3500000    
 H   -5.499500     -0.2366000      -1.605800    
 H   -6.069600      -1.198100     -0.2333000    
 H   -5.588100      0.5634000       1.346700    
 H   -6.383700       1.343200     -2.6799999E-02
 H   -4.224000      -3.055400     -0.6822000    
 H   9.7900003E-02 -7.3500000E-02  0.4611000    
 H  -0.8663000       1.736200     -0.2721000    
 H   -5.433300       3.541000      0.4740000    
 H   -1.881300      -4.563400     -0.4580000    
 H   0.5362000      -4.339000      5.1000002E-03
 H   -1.219300       4.142000     -3.1099999E-02
 H   -3.490200       5.056000      0.3418000    
 H    3.862500      0.8128000      -1.250200    
 H    3.481400       1.441600      0.3434000    
 H    3.989900     -0.7090000       1.415100    
 H    4.306200      -1.437700     -0.1887000    
 H    6.909000       2.632800     -0.1777000    
 H    5.775700       2.466400      -1.526600    
 H    6.210000     -0.9653000     -0.2398000    
 H    6.215200      9.8999999E-03  -1.715800    
 H    3.991300       3.448300     -0.1541000    
 H    4.973500       3.284200       1.326300    
 H    5.434500       4.421600      5.9000000E-02
 H    8.254300       1.143600     -0.9123000    
 H    8.047700      0.4512000      0.7174000    
 H    8.448500     -0.5811000     -0.6566000    


%chk=000152559-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152559

0 1
O 2.358919 -0.774529 0.230251
O 2.684702 -3.051371 0.602405
N -3.746315 -2.395169 0.154102
N 5.557627 1.151614 -0.047317
C -2.921584 -0.283148 -0.150102
C -4.086272 -1.056627 -0.069261
C -5.474357 -0.516134 -0.263677
C -5.486319 0.961696 0.211812
C -3.019107 1.153295 -0.448788
C -1.797076 -1.191845 0.050255
C -4.307483 1.773644 -0.323869
C -2.354480 -2.512991 0.236477
C -0.391285 -1.043781 0.113292
C -1.919286 1.939789 -0.883104
C -4.453497 3.141854 -0.634383
C -1.556931 -3.655201 0.464932
C 0.416789 -2.183984 0.339237
C -0.165065 -3.479193 0.509536
C -2.079282 3.310212 -1.181598
C -3.348613 3.918169 -1.059261
C 4.097164 0.893741 -0.000961
C 1.899724 -2.087318 0.408996
C 3.835681 -0.588505 0.292960
C 5.947422 2.464624 0.530295
C 6.144162 0.897038 -1.391322
C 5.879857 2.483389 2.069148
C 7.635027 0.512586 -1.335033
H -5.755103 -0.571222 -1.336697
H -6.227143 -1.100915 0.299015
H -5.439143 0.964907 1.321440
H -6.440415 1.442161 -0.070544
H -4.410464 -3.159911 0.257863
H 0.094144 -0.071927 0.006958
H -0.937522 1.475672 -1.013894
H -5.441074 3.610285 -0.537690
H -2.001569 -4.646630 0.603015
H 0.506421 -4.326544 0.679398
H -1.217578 3.898253 -1.516805
H -3.480035 4.979826 -1.295576
H 3.583433 1.179799 -0.949063
H 3.640819 1.497662 0.802908
H 4.200491 -0.869216 1.295976
H 4.313254 -1.256196 -0.446848
H 6.988784 2.670300 0.222640
H 5.324633 3.296519 0.113008
H 5.583732 0.061136 -1.850290
H 6.003934 1.777530 -2.068875
H 4.855811 2.293161 2.439245
H 6.541543 1.704488 2.486128
H 6.198183 3.468417 2.459068
H 8.253598 1.319308 -0.901647
H 7.770124 -0.389455 -0.713538
H 8.019522 0.306034 -2.351419


