%chk=000034806.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034806

0 1
 O    5.763600     -0.8364000     -0.1287000    
 O   -3.446400       1.841000      -1.371600    
 O    3.253300      -1.187200     -0.7384000    
 N    2.567400      0.8432000      0.2408000    
 C   0.3314000       1.509000      0.9147000    
 C    1.187800      0.8646000      2.2000000E-02
 C   -1.521900      0.8873000     -0.4456000    
 C   -1.043200       1.520500      0.6775000    
 C   0.6696000      0.2318000      -1.108000    
 C  -0.7049000      0.2434000      -1.345200    
 C   -2.994000      0.9005000     -0.7019000    
 C   0.8587000       2.196200       2.132200    
 C   -3.882100     -0.1350000     -0.1986000    
 C    3.487000     -0.1418000     -0.1394000    
 C    4.898800      0.2022000      0.2828000    
 C   -3.367200      -1.190600      0.5539000    
 C   -5.249100     -7.2899997E-02 -0.4685000    
 C   -4.219200      -2.184100       1.036500    
 C   -6.101300      -1.066300      1.4000000E-02
 C    7.115400     -0.5774000      0.2377000    
 C   -5.586200      -2.121800      0.7664000    
 C    7.982300      -1.726000     -0.2325000    
 H   -1.721000       2.020000       1.364000    
 H    1.305300     -0.2527000      -1.842600    
 H   -1.104000     -0.2438000      -2.229600    
 H    2.918400       1.530200      0.9034000    
 H   4.9800001E-02   2.576400       2.766000    
 H    1.444900       1.503000       2.744900    
 H    1.481500       3.051400       1.850000    
 H    5.187800       1.147300     -0.1906000    
 H    4.925900      0.3073000       1.373200    
 H   -2.310500      -1.278300      0.7877000    
 H   -5.675700      0.7385000      -1.052200    
 H   -3.818800      -3.006300       1.622400    
 H   -7.165800      -1.018100     -0.1960000    
 H    7.451700      0.3553000     -0.2286000    
 H    7.190000     -0.4789000       1.326400    
 H   -6.249600      -2.895300       1.142100    
 H    9.030000      -1.559400      3.3199999E-02
 H    7.649700      -2.668400      0.2151000    
 H    7.907800      -1.845900      -1.318400    


%chk=000034806-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000034806

0 1
O 5.347452 0.158725 -0.042380
O -3.083505 1.369764 1.970421
O 2.851707 -0.725396 -2.534417
N 2.789323 0.055963 -0.296844
C 1.025474 0.596210 1.298353
C 1.405721 0.146895 -0.010778
C -1.351926 0.349063 0.652820
C -0.344765 0.695002 1.594781
C 0.413711 -0.179901 -0.974018
C -0.948929 -0.082710 -0.638613
C -2.783257 0.540582 1.049954
C 2.072596 0.960314 2.337220
C -3.878719 -0.240264 0.373454
C 3.414915 -0.345606 -1.465711
C 4.948110 -0.294462 -1.375444
C -3.690335 -1.558844 -0.122294
C -5.172655 0.343975 0.308462
C -4.773428 -2.270628 -0.683845
C -6.248341 -0.360343 -0.267448
C 6.808163 0.260776 0.134177
C -6.051239 -1.670890 -0.767297
C 7.073732 0.725027 1.564304
H -0.668750 1.055590 2.577321
H 0.727774 -0.499359 -1.969543
H -1.700823 -0.309650 -1.400869
H 3.458558 0.317770 0.440408
H 1.590766 1.286133 3.272963
H 2.728904 0.102706 2.586199
H 2.724066 1.790125 1.997891
H 5.343904 -1.309025 -1.590398
H 5.319149 0.395693 -2.162200
H -2.709945 -2.039079 -0.038527
H -5.309527 1.348282 0.722936
H -4.621805 -3.291867 -1.050543
H -7.238772 0.104517 -0.324345
H 7.268658 -0.732060 -0.058041
H 7.215065 0.983530 -0.605401
H -6.888585 -2.222037 -1.210063
H 8.160865 0.818000 1.738342
H 6.607605 1.708403 1.748194
H 6.666285 0.001576 2.291321


