%chk=000053412.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053412

0 1
 O  -0.1576000       1.633700      2.8700000E-02
 O    4.659300       1.383200     -0.1793000    
 O    2.244800       3.008100     -0.1690000    
 O    2.180700      -2.558800      0.1773000    
 O   -1.842200      -2.674000      5.6600001E-02
 O   0.2004000      -3.196800     -0.8293000    
 N   -2.987700       1.852500     -0.1817000    
 N  -0.2119000      -1.132600      0.2022000    
 C   -3.640900      0.8154000     -0.9928000    
 C   -3.978900       2.726600      0.4613000    
 C   -4.570400     -4.8900001E-02 -0.1393000    
 C   -4.919500       1.924800       1.362200    
 C   -5.603300      0.8020000      0.5906000    
 C   -2.067400       2.639500      -1.002100    
 C  -0.7695000       1.881300      -1.230400    
 C    1.022700      0.9374000      1.5699999E-02
 C    1.010400     -0.4571000      0.1024000    
 C    2.223100       1.647200     -8.3400004E-02
 C    3.392400      0.8889000     -9.0499997E-02
 C    3.422500     -0.4993000     -6.2000002E-03
 C    2.203500      -1.192600      9.2699997E-02
 C    4.795400     -0.8588000     -4.7400001E-02
 C    5.501200      0.3173000     -0.1525000    
 C  -0.5341000      -2.407100     -0.2485000    
 C    2.313700       3.732100       1.057000    
 C    2.228800      -3.121500       1.483600    
 C   -2.332200      -3.958500     -0.3454000    
 C   -3.783200      -4.084100      6.7500003E-02
 H   -4.214700       1.264900      -1.814300    
 H   -2.901700      0.1453000      -1.443600    
 H   -3.471300       3.472400       1.085300    
 H   -4.563400       3.272500     -0.2910000    
 H   -5.079400     -0.7830000     -0.7738000    
 H   -3.978700     -0.6129000      0.5928000    
 H   -4.351900       1.499500       2.199700    
 H   -5.675500       2.590400       1.793900    
 H   -6.189500      0.1781000       1.274100    
 H   -6.303900       1.231000     -0.1363000    
 H   -1.805500       3.563800     -0.4701000    
 H   -2.519100       2.935700      -1.956700    
 H  -0.1010000       2.505000      -1.836900    
 H  -0.9268000      0.9443000      -1.775100    
 H    5.218500      -1.852400     -5.4000001E-03
 H   -1.006600     -0.5617000      0.4812000    
 H    6.553400      0.5528000     -0.2154000    
 H    1.439600       3.517800       1.680100    
 H    3.231700       3.482800       1.598600    
 H    2.323800       4.800400      0.8243000    
 H    3.195400      -2.911900       1.952400    
 H    1.419900      -2.734800       2.111700    
 H    2.113500      -4.205300       1.395300    
 H   -1.740100      -4.742100      0.1405000    
 H   -2.246500      -4.058000      -1.433100    
 H   -4.387400      -3.304300     -0.4071000    
 H   -4.186300      -5.061200     -0.2129000    
 H   -3.889300      -3.954100       1.149600    


%chk=000053412-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053412

0 1
O -0.136391 1.704187 0.513061
O 4.706084 1.347943 -0.612648
O 2.170737 3.119082 -0.259764
O 2.354765 -2.524013 0.643048
O -2.076593 -2.325277 0.579119
O -0.181931 -2.900357 -0.700154
N -3.059353 1.624607 -0.100588
N -0.281154 -0.934686 0.632338
C -3.550034 1.256402 -1.454351
C -4.186158 1.765763 0.859525
C -4.334101 -0.070275 -1.422400
C -4.984666 0.451060 0.968305
C -5.507948 0.013485 -0.419373
C -2.180474 2.817530 -0.124321
C -0.753737 2.505943 -0.576434
C 1.065756 1.030990 0.230610
C 1.015612 -0.398388 0.394920
C 2.257036 1.729612 -0.088856
C 3.403158 0.921640 -0.257005
C 3.405789 -0.476329 -0.012834
C 2.219141 -1.156095 0.367583
C 4.771337 -0.928782 -0.215653
C 5.511712 0.175011 -0.573621
C -0.766670 -2.115136 0.082617
C 3.368516 3.917120 0.075895
C 1.807886 -3.003352 1.925643
C -2.754442 -3.539558 0.046279
C -4.028741 -3.728792 0.864268
H -4.209585 2.066534 -1.868889
H -2.684427 1.161201 -2.135307
H -3.767314 2.038302 1.846186
H -4.881612 2.591893 0.550007
H -4.701918 -0.304033 -2.440069
H -3.643956 -0.877710 -1.113925
H -4.317043 -0.332526 1.375366
H -5.822897 0.588337 1.678497
H -6.029798 -0.960366 -0.349578
H -6.252636 0.752209 -0.783017
H -2.121752 3.229699 0.900151
H -2.588017 3.629304 -0.780963
H -0.165086 3.430871 -0.712695
H -0.728112 1.920471 -1.516154
H 5.125608 -1.951782 -0.118498
H -0.986322 -0.251279 0.943945
H 6.554204 0.331254 -0.836396
H 3.684355 3.723350 1.117806
H 4.200820 3.693686 -0.611681
H 3.048271 4.964179 -0.033467
H 2.328875 -2.511733 2.770265
H 0.722366 -2.825133 2.012591
H 2.009186 -4.084692 1.932740
H -2.064183 -4.397521 0.135517
H -2.966303 -3.383220 -1.028261
H -4.692501 -2.851702 0.773278
H -4.576473 -4.618529 0.503133
H -3.791584 -3.875497 1.932008


