%chk=000017156.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017156

0 1
 O   -3.497400      -1.938900       1.387400    
 O   -3.002400       3.356500     -0.5266000    
 O    3.545400      -1.707500      -1.318700    
 O    4.384700       1.571900      0.6421000    
 O   -4.861600      -2.053400     -0.4258000    
 O   -2.571000       2.122000       1.331400    
 O    4.827000      -1.299200      0.5125000    
 O    3.295300       1.553200      -1.351800    
 N   -2.120600     -9.4700001E-02 -0.2291000    
 N    1.620700     -0.3016000      0.1742000    
 C  -0.7145000      0.1334000     -0.5782000    
 C   0.2040000     -0.5038000      0.4941000    
 C  -0.4807000     -0.3719000      -2.003700    
 C  -4.7600001E-02 -7.9999998E-04   1.917800    
 C   -2.566000      -1.389000     -0.7399000    
 C   -2.955100      0.9818000     -0.7572000    
 C    2.430500      -1.365500      0.7634000    
 C    2.066200       1.006600      0.6485000    
 C   -3.758400      -1.837100      5.9300002E-02
 C   -2.806900       2.185700      0.1314000    
 C    3.724900      -1.461500      4.0000002E-03
 C    3.283300       1.413600     -0.1352000    
 H  -0.5080000       1.211300     -0.5804000    
 H  -7.0000002E-03  -1.581200      0.4877000    
 H   0.4866000      6.0000001E-03  -2.359600    
 H   -1.215000     -9.6000005E-03  -2.730000    
 H  -0.4106000      -1.462300      -2.078000    
 H  -6.9600001E-02   1.090400       2.003100    
 H   0.6641000     -0.4012000       2.647700    
 H   -1.031800     -0.3464000       2.257500    
 H   -2.852900      -1.371500      -1.799000    
 H   -1.833400      -2.193500     -0.6008000    
 H   -2.716500       1.248300      -1.792200    
 H   -4.020800      0.7248000     -0.7208000    
 H    2.642700      -1.221600       1.829300    
 H    1.963300      -2.353600      0.6625000    
 H    1.345200       1.809000      0.4495000    
 H    2.301200       1.038700       1.720100    
 H   -4.289900      -2.213200       1.896200    
 H   -2.919600       4.130100      7.0900001E-02
 H    4.397900      -1.746800      -1.802400    
 H    5.173600       1.817000      0.1130000    


%chk=000017156-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017156

0 1
O -3.674728 -2.312010 1.314326
O -3.091202 3.478863 -0.726250
O 3.284760 -2.164238 -1.408233
O 3.297401 2.862481 0.320537
O -4.931640 -0.761573 0.129530
O -1.598670 2.600135 0.818063
O 4.847192 -0.932894 -0.205286
O 2.784208 1.353773 -1.368582
N -1.952369 -0.028006 -0.374445
N 1.685985 -0.462187 0.665159
C -0.466691 -0.042683 -0.526861
C 0.237914 -0.800810 0.653173
C 0.012011 -0.565587 -1.903538
C -0.441056 -0.557991 2.025552
C -2.638636 -1.311949 -0.634993
C -2.631696 1.142017 -0.935691
C 2.680350 -1.519452 0.853959
C 2.104225 0.888066 0.998915
C -3.868281 -1.409296 0.263269
C -2.355339 2.427091 -0.160846
C 3.732495 -1.497501 -0.263010
C 2.744596 1.668189 -0.161750
H -0.164262 1.016208 -0.433526
H 0.193778 -1.886637 0.430970
H 1.108951 -0.484002 -1.965277
H -0.424539 0.026941 -2.729689
H -0.263449 -1.626761 -2.054326
H -0.578014 0.519360 2.224550
H 0.175028 -1.004487 2.828812
H -1.442339 -1.017735 2.055657
H -2.968330 -1.436666 -1.692487
H -1.957933 -2.140690 -0.391101
H -2.375089 1.348197 -2.004460
H -3.725902 0.983363 -0.909834
H 3.234518 -1.408477 1.811578
H 2.178385 -2.500706 0.848504
H 1.243533 1.491617 1.346546
H 2.840637 0.902171 1.830760
H -4.478603 -2.314265 1.903937
H -2.909646 4.316949 -0.220682
H 3.940432 -2.028173 -2.145592
H 3.711317 3.363856 -0.433141


