%chk=000034139.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034139

0 1
 O   6.5399997E-02 -0.8348000     -4.6200000E-02
 O    1.056100      -2.837900      0.5065000    
 O    5.969500       1.068200     -0.4991000    
 N   -3.612700     -0.9583000     -1.9000000E-03
 C   -4.665100      2.5599999E-02 -0.2480000    
 C   -4.480000       1.230100      0.6815000    
 C   -6.040100     -0.6212000     -4.7499999E-02
 C   -5.606700       2.246600      0.5060000    
 C   -7.165200      0.3975000     -0.2215000    
 C   -6.978400       1.604400      0.6938000    
 C   -2.297900     -0.3668000     -0.1969000    
 C   -1.224900      -1.415600      9.8200001E-02
 C   -2.176500      0.1862000      -1.617100    
 C    1.122000      -1.660700      0.1882000    
 C    2.405500     -0.9369000      6.6000000E-03
 C    3.500800      -1.325700      0.7503000    
 C    2.464100      0.1015000     -0.9005000    
 C    4.707300     -0.6465000      0.5796000    
 C    3.670500      0.7806000      -1.071200    
 C    4.792100      0.4066000     -0.3311000    
 C    6.839400       1.142300      0.6295000    
 C    7.654700       2.414800      0.5408000    
 H   -4.652500      0.3591000      -1.291900    
 H   -3.556500       1.781200      0.4822000    
 H   -4.449100      0.9058000       1.730000    
 H   -6.110000      -1.060100      0.9568000    
 H   -6.180800      -1.441400     -0.7624000    
 H   -5.482300       3.063800       1.225500    
 H   -5.546100       2.690600     -0.4955000    
 H   -7.196500      0.7324000      -1.265700    
 H   -8.129100     -7.9000004E-02 -1.0300000E-02
 H   -7.093500       1.290500       1.738600    
 H   -7.762300       2.343600      0.4940000    
 H   -3.690300      -1.319000      0.9490000    
 H   -2.089100      0.4433000      0.5094000    
 H   -1.334400      -1.787400       1.125000    
 H   -1.318800      -2.262400     -0.5939000    
 H   -1.137800      0.4491000      -1.847100    
 H   -2.491200     -0.5500000      -2.365800    
 H   -2.751100       1.105500      -1.766400    
 H    3.447600      -2.145800       1.460300    
 H    1.609600      0.4033000      -1.498600    
 H    5.562900     -0.9869000       1.155200    
 H    3.731700       1.598200      -1.784400    
 H    7.507000      0.2736000      0.6271000    
 H    6.281400       1.174700       1.573800    
 H    6.999900       3.292500      0.5283000    
 H    8.234300       2.437400     -0.3881000    
 H    8.342200       2.499400       1.387100    


%chk=000034139-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000034139

0 1
O 0.071557 -0.470163 0.148967
O 1.027597 -2.488044 0.820086
O 6.164069 1.434347 0.011099
N -3.632477 -0.675342 0.140347
C -4.865388 0.074227 -0.212405
C -5.026148 1.443745 0.510954
C -6.090415 -0.826471 0.072677
C -6.349904 2.144798 0.116803
C -7.419063 -0.131539 -0.309578
C -7.570125 1.235951 0.398666
C -2.311170 -0.053861 -0.139785
C -1.264100 -1.119678 0.225994
C -2.178994 0.356432 -1.619787
C 1.164056 -1.286532 0.472216
C 2.457347 -0.566759 0.352344
C 3.649928 -1.279290 0.632679
C 2.541115 0.800761 -0.032649
C 4.908139 -0.655584 0.533007
C 3.788433 1.434190 -0.134009
C 4.978086 0.709754 0.146486
C 7.443004 0.741026 0.282978
C 8.553352 1.762570 0.055266
H -4.838656 0.264851 -1.304471
H -4.164230 2.101370 0.281914
H -5.015893 1.266547 1.608129
H -6.108105 -1.075936 1.156531
H -5.969899 -1.778942 -0.476098
H -6.449343 3.104432 0.660566
H -6.323808 2.392945 -0.965090
H -7.445330 0.022911 -1.408376
H -8.273691 -0.790116 -0.060668
H -7.655724 1.072029 1.493159
H -8.503921 1.734950 0.074171
H -3.684746 -1.003871 1.117073
H -2.106939 0.845905 0.491028
H -1.408510 -1.506346 1.253408
H -1.301030 -1.972757 -0.474358
H -1.136940 0.653228 -1.829480
H -2.447680 -0.492931 -2.274382
H -2.832389 1.210787 -1.869969
H 3.570961 -2.330647 0.928995
H 1.621803 1.351919 -0.248054
H 5.812595 -1.229219 0.753903
H 3.874056 2.484538 -0.427945
H 7.542628 -0.124839 -0.402727
H 7.442396 0.369706 1.328026
H 8.436586 2.623407 0.735207
H 8.533165 2.134751 -0.983087
H 9.538846 1.298787 0.242439


