%chk=000157736.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157736

0 1
 O   -2.022300      -1.857600     -0.3927000    
 O   -4.794100      -1.731800     -0.5729000    
 O    3.075000       1.534300      0.5149000    
 O    4.176100      0.6589000      -1.313700    
 N   -3.099200       1.375300      0.5148000    
 C   -4.091800     -0.8888000      0.3447000    
 C   -3.846900      0.4598000     -0.3363000    
 C   -2.831300       2.628600     -0.1775000    
 C   -2.805600      -1.595300      0.7674000    
 C   -1.650000       2.464900      -1.129700    
 C   -2.561800       3.726800      0.8463000    
 C    2.106500      -1.881200      0.1073000    
 C    3.586800      -1.889100      0.2861000    
 C  -0.6629000      -1.865600     -0.2284000    
 C    4.117600     -0.5442000      0.7991000    
 C    1.273900      -2.256400       1.161700    
 C    1.554200      -1.498100      -1.115000    
 C  -0.1107000      -2.248700      0.9940000    
 C   0.1695000      -1.490400      -1.282800    
 C    3.814900      0.5954000     -0.1468000    
 C    2.706000       2.682800     -0.2552000    
 C    1.896100       3.620400      0.6148000    
 H   -4.735700     -0.7525000       1.221100    
 H   -4.820400      0.8930000     -0.6021000    
 H   -3.331100      0.2826000      -1.287200    
 H   -3.710300       2.946700     -0.7532000    
 H   -3.641200       1.549700       1.361000    
 H   -3.055700      -2.559000       1.226800    
 H   -2.282500     -0.9708000       1.501800    
 H  -0.7627000       2.091400     -0.6060000    
 H   -1.871900       1.775000      -1.949500    
 H   -1.385400       3.427000      -1.582700    
 H   -2.363300       4.681500      0.3470000    
 H   -1.693100       3.489500       1.470900    
 H   -3.424000       3.873000       1.506500    
 H    4.071600      -2.141100     -0.6661000    
 H    3.876800      -2.683600      0.9852000    
 H    5.205000     -0.5877000      0.9277000    
 H    3.692500     -0.3283000       1.787300    
 H   -4.207800      -1.898500      -1.330800    
 H    1.692700      -2.561200       2.117200    
 H    2.188000      -1.211400      -1.949500    
 H  -0.7209000      -2.577200       1.830100    
 H  -0.2555000      -1.191400      -2.237000    
 H    2.105200       2.366000      -1.115200    
 H    3.609100       3.192200     -0.6094000    
 H    1.008300       3.113500       1.006600    
 H    2.483000       3.945100       1.480300    
 H    1.580200       4.502700      5.1199999E-02


%chk=000157736-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157736

0 1
O -1.897753 -1.394850 -0.508029
O -4.573244 -1.902766 -1.069561
O 3.649034 1.499139 0.154756
O 4.605891 0.196500 -1.525224
N -4.014512 1.448914 0.599056
C -4.197671 -0.970843 0.004284
C -4.189149 0.489631 -0.514113
C -3.351686 2.744238 0.273821
C -2.851684 -1.365438 0.622242
C -1.826000 2.548486 0.122925
C -3.665829 3.755105 1.395508
C 2.266303 -1.951697 0.140678
C 3.770734 -2.058579 0.346081
C -0.536666 -1.602784 -0.225906
C 4.413838 -0.700432 0.767472
C 1.371632 -2.024367 1.235445
C 1.721655 -1.717490 -1.150988
C -0.021267 -1.853428 1.069030
C 0.336980 -1.545602 -1.338572
C 4.258849 0.341430 -0.328391
C 3.387555 2.581555 -0.845669
C 2.438254 3.574397 -0.182028
H -4.986155 -1.088371 0.770457
H -5.124092 0.646176 -1.096765
H -3.344185 0.601910 -1.216854
H -3.744751 3.161250 -0.687110
H -4.896652 1.602413 1.105876
H -2.905556 -2.370859 1.083025
H -2.548888 -0.601912 1.363485
H -1.389825 2.233846 1.088702
H -1.584376 1.772403 -0.625494
H -1.344521 3.491967 -0.196967
H -3.156516 4.716949 1.208880
H -3.319170 3.360744 2.368921
H -4.752486 3.955161 1.467074
H 4.262947 -2.398613 -0.582923
H 4.001873 -2.799613 1.134317
H 5.496516 -0.854321 0.941291
H 3.962335 -0.321559 1.698827
H -3.770001 -2.020013 -1.641900
H 1.765239 -2.216746 2.241680
H 2.393865 -1.660126 -2.014983
H -0.682618 -1.917514 1.937715
H -0.083272 -1.362853 -2.332727
H 2.957683 2.119918 -1.752359
H 4.357414 3.037728 -1.116498
H 1.484480 3.085844 0.082253
H 2.882347 3.993321 0.737304
H 2.224002 4.407953 -0.875944


