%chk=000173707.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173707

0 1
 O   -3.161000       2.752000      -1.037700    
 O   -1.985800       4.527700     -0.2786000    
 O    4.444600     -0.8145000       1.077200    
 O   -1.553600      0.3646000       2.085700    
 O    2.087100      -1.896100      -2.070900    
 O    3.756700      -2.358800     -0.7227000    
 N   -1.467000      0.9669000     -0.1523000    
 N    2.834400      -1.602100      -1.108100    
 C   -1.037900       2.327400      5.4800000E-02
 C   0.2962000       2.600100     -0.6520000    
 C    1.403700       1.681600     -0.1948000    
 C    1.605500      0.4794000     -0.8536000    
 C    2.198700       2.058400      0.8759000    
 C   -2.091800       3.314400     -0.4253000    
 C    2.629200     -0.3685000     -0.4307000    
 C   -1.692000      8.7200001E-02  0.8973000    
 C    3.222300       1.210600       1.298800    
 C    3.437700     -2.7999999E-03  0.6454000    
 C   -2.105100      -1.288100      0.5164000    
 C   -1.814300      -2.332600       1.369400    
 C   -2.768500      -1.476500     -0.6784000    
 C   -2.204300      -3.623000       1.011600    
 C   -3.158400      -2.767100      -1.036200    
 C   -2.876400      -3.840400     -0.1912000    
 H  -0.9283000       2.499900       1.132400    
 H   0.1730000       2.504200      -1.740000    
 H   0.6011000       3.643400     -0.4937000    
 H   -1.568700      0.6671000      -1.115600    
 H   0.9632000      0.2205000      -1.691600    
 H    2.036800       3.000300       1.392200    
 H    3.843700       1.508300       2.139200    
 H   -1.287200      -2.181000       2.306600    
 H   -3.040900     -0.6666000      -1.346700    
 H   -3.810900       3.425000      -1.332600    
 H   -1.983900      -4.459000       1.668900    
 H   -3.689300      -2.935700      -1.968600    
 H   -3.181400      -4.845000     -0.4689000    
 H    4.892400     -0.3930000       1.830600    


%chk=000173707-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173707

0 1
O -2.955414 2.634067 -1.542540
O -1.957784 4.456221 -0.498377
O 4.732983 -0.934088 0.921592
O -1.340499 0.464582 2.102565
O 4.079569 -0.027325 -3.139867
O 5.622324 -0.630842 -1.575565
N -1.535612 0.832621 -0.184255
N 4.466905 -0.171463 -1.908613
C -1.034057 2.201464 -0.105343
C 0.345201 2.416437 -0.811859
C 1.460290 1.497026 -0.332430
C 2.418087 1.034093 -1.253906
C 1.615274 1.123839 1.030901
C -2.011212 3.225204 -0.690431
C 3.518934 0.240968 -0.850806
C -1.726893 0.062157 0.955789
C 2.696523 0.326589 1.438940
C 3.675337 -0.127870 0.516543
C -2.392416 -1.272565 0.762057
C -2.210390 -2.246077 1.777356
C -3.206934 -1.581828 -0.359363
C -2.809903 -3.516861 1.663340
C -3.811045 -2.853125 -0.469771
C -3.608524 -3.825810 0.536640
H -0.932374 2.432224 0.971046
H 0.214756 2.294320 -1.904331
H 0.625874 3.475206 -0.644667
H -1.836246 0.485276 -1.095100
H 2.343689 1.273915 -2.319105
H 0.872218 1.420833 1.778214
H 2.784653 0.038377 2.494466
H -1.601818 -1.977816 2.646878
H -3.414588 -0.831062 -1.131826
H -3.547700 3.339059 -1.920926
H -2.658583 -4.264633 2.449256
H -4.445108 -3.081565 -1.333207
H -4.076546 -4.812340 0.447617
H 4.660628 -1.131007 1.891288


