%chk=000052277.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052277

0 1
 O    7.925400      0.7749000      0.8717000    
 O    1.698500     -0.1777000     -0.3019000    
 O   -1.954800      -2.070700     -5.5500001E-02
 O   0.7827000       1.570900      -1.511600    
 O   0.2831000      -2.309900     -0.4497000    
 O   -7.584700      0.6422000      0.6883000    
 O   -6.371900       2.420400      0.2562000    
 N    5.383600     -0.1053000     -5.8899999E-02
 N   -6.484000       1.181500      0.4197000    
 C    6.360400      -1.043800      0.5109000    
 C    5.567700       1.230000      0.5262000    
 C    4.019100     -0.5825000      0.1560000    
 C    7.775500     -0.5188000      0.2859000    
 C    7.001300       1.701200      0.2996000    
 C    3.016000      0.3360000     -0.5235000    
 C  -0.5819000     -0.1059000     -0.5399000    
 C   0.6945000      0.5466000     -0.8557000    
 C   -2.955400      0.1440000     -0.1230000    
 C   -1.646400      0.6980000     -0.4327000    
 C   -3.079000      -1.229800      5.8600001E-02
 C   -4.093300      0.9452000     -1.5000000E-03
 C  -0.6897000      -1.570000     -0.3508000    
 C   -4.303800      -1.823200      0.3575000    
 C   -5.329200      0.3640000      0.2976000    
 C   -5.433700      -1.017100      0.4765000    
 H    6.266500      -2.026700      3.5399999E-02
 H    6.184700      -1.168300       1.587500    
 H    5.352600       1.211300       1.602400    
 H    4.927300       1.981500      5.7500001E-02
 H    3.779700     -0.6702000       1.224300    
 H    3.900400      -1.590000     -0.2636000    
 H    8.500700      -1.185900      0.7628000    
 H    8.023400     -0.4683000     -0.7815000    
 H    7.222900       1.827400     -0.7673000    
 H    7.157500       2.669100      0.7867000    
 H    3.208200      0.3846000      -1.602300    
 H    3.030200       1.346000     -0.1048000    
 H   -1.578300       1.773600     -0.5635000    
 H   -3.995800       2.019500     -0.1438000    
 H   -4.382800      -2.897100      0.4962000    
 H   -6.380300      -1.497800      0.7097000    


%chk=000052277-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052277

0 1
O 8.272781 0.632263 0.562195
O 1.759145 -0.190675 -0.118909
O -2.113242 -1.922235 0.753628
O 0.717881 1.671952 -1.047020
O 0.162047 -2.263171 0.771659
O -7.905859 0.529752 -0.058343
O -6.646617 2.238089 -0.900232
N 5.491509 0.018567 -0.009280
N -6.774008 1.070823 -0.363462
C 6.537513 -1.037783 -0.043663
C 5.864931 1.081434 0.962283
C 4.128553 -0.517896 0.209909
C 7.895567 -0.413334 -0.403902
C 7.234127 1.674459 0.590911
C 3.092705 0.408187 -0.437835
C -0.647979 -0.113136 -0.134670
C 0.655568 0.547675 -0.484712
C -3.117617 0.124884 -0.126353
C -1.794716 0.614117 -0.413397
C -3.235267 -1.170464 0.470929
C -4.297993 0.863376 -0.401036
C -0.720494 -1.457655 0.467890
C -4.498065 -1.724413 0.791081
C -5.540670 0.299963 -0.077843
C -5.657213 -0.986633 0.515732
H 6.264806 -1.788942 -0.808526
H 6.627916 -1.561449 0.940597
H 5.910861 0.675391 2.004089
H 5.106102 1.885682 0.944699
H 3.883579 -0.652474 1.290124
H 4.053788 -1.513300 -0.262990
H 8.702726 -1.162812 -0.358429
H 7.844383 0.021574 -1.425402
H 7.167922 2.166956 -0.403158
H 7.569049 2.404403 1.346133
H 3.213934 0.450461 -1.533663
H 3.119801 1.438153 -0.040281
H -1.661827 1.602727 -0.869582
H -4.253272 1.857328 -0.856083
H -4.543287 -2.716933 1.246369
H -6.652167 -1.376010 0.746242


