%chk=000030850.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030850

0 1
 O   -4.747500       1.902700     -0.3116000    
 O   -5.791700     -0.6280000      0.1309000    
 N    6.271700     -1.3100000E-02 -2.0400001E-02
 C   -1.704900     -4.5800000E-02  1.4200000E-02
 C  -0.2518000     -0.2173000      3.8699999E-02
 C   -2.231900      -1.330900      0.2394000    
 C   1.8200001E-02  -1.622900      0.2819000    
 C   -1.140400      -2.291600      0.4025000    
 C   -2.529900       1.048800     -0.1729000    
 C   0.6682000      0.7370000     -0.1302000    
 C   -3.599300      -1.543200      0.2805000    
 C    2.128400      0.5416000     -0.1016000    
 C   -3.911000      0.8398000     -0.1317000    
 C   -4.440500     -0.4432000      9.2600003E-02
 C    4.874100      0.1739000     -4.7800001E-02
 C    2.807900      0.6803000       1.097600    
 C    2.793300      0.2228000      -1.274600    
 C    4.190200      0.4954000       1.124700    
 C    4.175600      3.7700001E-02  -1.247600    
 C    6.922000     -0.5133000       1.174500    
 C    7.074500      0.2792000      -1.191300    
 C   -5.137900       2.622200      0.8551000    
 C   -6.437600     -0.9318000      -1.102900    
 H   0.9978000      -2.069200      0.3560000    
 H   -1.269900      -3.345200      0.5862000    
 H   -2.124600       2.039900     -0.3469000    
 H   0.3651000       1.766800     -0.3064000    
 H   -4.008000      -2.533400      0.4547000    
 H    2.286400      0.9332000       2.016900    
 H    2.259500      0.1118000      -2.214800    
 H    4.705300      0.6207000       2.072900    
 H    4.675400     -0.2235000      -2.176000    
 H    7.916800     -0.9120000      0.9460000    
 H    6.351900      -1.331700       1.628800    
 H    7.049900      0.2871000       1.910700    
 H    6.756400       1.210200      -1.674100    
 H    7.016300     -0.5396000      -1.916200    
 H    8.129500      0.4084000     -0.9245000    
 H   -4.263100       3.059900       1.346600    
 H   -5.672000       1.968200       1.551600    
 H   -5.808600       3.430400      0.5510000    
 H   -6.292800     -0.1215000      -1.824300    
 H   -7.508500      -1.041500     -0.9113000    
 H   -6.057500      -1.872700      -1.513400    


%chk=000030850-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000030850

0 1
O -4.540765 1.964024 0.471394
O -5.960357 -0.468818 -0.265247
N 6.471875 0.216928 0.061030
C -1.716831 -0.387260 -0.090707
C -0.258314 -0.677490 -0.135450
C -2.419668 -1.593038 -0.432998
C -0.151146 -2.103192 -0.501165
C -1.417921 -2.639946 -0.670016
C -2.433586 0.785490 0.210916
C 0.720226 0.262528 0.149741
C -3.827726 -1.611315 -0.496780
C 2.174900 0.193885 0.088492
C -3.847256 0.762267 0.170427
C -4.542733 -0.426633 -0.209899
C 5.076756 0.216068 0.065931
C 2.930495 1.237602 0.708964
C 2.928839 -0.824572 -0.574402
C 4.331075 1.255623 0.712335
C 4.329393 -0.817971 -0.590623
C 7.210601 1.291232 0.738898
C 7.209257 -0.852784 -0.625761
C -5.396352 1.886083 1.678126
C -6.554084 0.398573 -1.308726
H 0.778837 -2.666650 -0.570101
H -1.648407 -3.677925 -0.921205
H -1.945602 1.725597 0.490012
H 0.343033 1.238572 0.494387
H -4.390845 -2.508460 -0.773258
H 2.390937 2.050031 1.212478
H 2.408609 -1.612920 -1.124072
H 4.849104 2.078831 1.211570
H 4.851062 -1.615094 -1.127543
H 8.291898 1.100852 0.655827
H 6.956409 1.344614 1.816574
H 7.002757 2.283249 0.288780
H 6.971721 -0.886807 -1.708239
H 6.984351 -1.849074 -0.194532
H 8.291144 -0.675596 -0.523283
H -4.774023 1.700351 2.574586
H -6.151091 1.085618 1.574834
H -5.883830 2.870244 1.757751
H -6.263196 1.453771 -1.156808
H -7.643841 0.278478 -1.206455
H -6.230704 0.061637 -2.312282


