%chk=000058770.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058770

1 1
 O   -2.357600      0.7429000       1.100700    
 N   -6.796400      0.3623000     -0.3194000    
 N   -3.359900      -1.084700      7.5499997E-02
 C   -5.379800      0.1021000     -0.6755000    
 C   -4.730700     -0.7565000      0.3942000    
 C   -7.584400     -0.9514000     -0.2214000    
 C   -6.895500       1.079900       1.034000    
 C   -7.471700       1.245300      -1.377900    
 C    2.802700      0.2402000      0.2862000    
 C    1.592300     -0.5629000     -0.1958000    
 C    4.102100     -0.3045000     -0.3116000    
 C   0.2561000     -4.2100001E-02  0.3475000    
 C    5.310800      0.5168000      0.1427000    
 C  -0.9664000     -0.8698000     -4.8200000E-02
 C   -2.281300     -0.3012000      0.4588000    
 C    6.613200     -5.0200000E-02 -0.4304000    
 C    7.855500      0.7236000      2.1900000E-02
 C    9.132600      0.1534000     -0.5214000    
 C    10.15830     -0.2430000      0.2403000    
 H   -4.864700       1.065500     -0.7752000    
 H   -5.354100     -0.3967000      -1.652300    
 H   -4.714300     -0.2628000       1.369400    
 H   -5.223200      -1.725100      0.5088000    
 H   -8.647900     -0.7036000     -0.1420000    
 H   -7.284900      -1.501300      0.6738000    
 H   -7.400600      -1.533400      -1.129000    
 H   -6.645200      0.3888000       1.842300    
 H   -7.929600       1.414600       1.165400    
 H   -6.220500       1.940600       1.019000    
 H   -8.511800       1.415300      -1.084600    
 H   -7.423300      0.7221000      -2.337400    
 H   -6.926800       2.192500      -1.427800    
 H    2.678700       1.292000      1.6000000E-03
 H    2.854800      0.2046000       1.380900    
 H    1.714000      -1.611100      0.1045000    
 H    1.557700     -0.5499000      -1.292100    
 H    4.039800     -0.2883000      -1.406500    
 H    4.232600      -1.351000     -1.0300000E-02
 H   0.3107000      4.4999998E-03   1.442800    
 H   0.1167000      0.9918000      6.5000001E-03
 H    5.192400       1.558900     -0.1772000    
 H    5.364200      0.5176000       1.238100    
 H   -1.025300     -0.9354000      -1.141400    
 H  -0.8611000      -1.889400      0.3416000    
 H   -3.190800      -1.925000     -0.4701000    
 H    6.558700     -4.3600000E-02  -1.526700    
 H    6.712800      -1.100400     -0.1267000    
 H    7.774000       1.763700     -0.3167000    
 H    7.884100      0.7517000       1.118200    
 H    9.226000      7.7299997E-02  -1.601500    
 H    11.05910     -0.6397000     -0.2150000    
 H    10.11960     -0.1805000       1.322200    


%chk=000058770-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058770

1 1
O -2.922170 -0.439259 1.137242
N -6.184091 0.766361 -0.061147
N -3.508292 -1.870443 -0.569056
C -5.132686 -0.025717 -0.876507
C -4.921206 -1.497439 -0.420391
C -7.578320 0.188423 -0.283720
C -5.842591 0.759226 1.440152
C -6.151780 2.213468 -0.557004
C 2.390649 -0.055410 -0.139762
C 1.351364 -1.185579 0.035594
C 3.849439 -0.561576 -0.072908
C -0.105031 -0.672427 0.004354
C 4.893984 0.562496 -0.254068
C -1.132333 -1.825240 0.160400
C -2.559372 -1.323280 0.292605
C 6.350415 0.053620 -0.169262
C 7.396751 1.185092 -0.353293
C 8.822462 0.674657 -0.321948
C 9.783388 1.080774 0.545516
H -4.187393 0.522622 -0.750780
H -5.451287 0.031170 -1.931859
H -5.199653 -1.612811 0.642983
H -5.535421 -2.192435 -1.015437
H -8.298970 0.741503 0.338106
H -7.582370 -0.872393 0.007031
H -7.848105 0.287770 -1.346634
H -6.238090 -0.156582 1.902368
H -6.317895 1.635588 1.906139
H -4.746655 0.774736 1.554442
H -6.961274 2.778552 -0.070249
H -6.289360 2.228403 -1.649171
H -5.179005 2.655841 -0.294533
H 2.223605 0.453324 -1.112170
H 2.234439 0.712803 0.645871
H 1.535057 -1.704597 0.999222
H 1.499023 -1.944289 -0.761102
H 4.006360 -1.335759 -0.852839
H 4.018786 -1.063989 0.902038
H -0.266174 0.055645 0.821535
H -0.288635 -0.135861 -0.948584
H 4.735628 1.059365 -1.234326
H 4.733612 1.342290 0.519536
H -1.038276 -2.541130 -0.678944
H -0.893337 -2.382554 1.088036
H -3.240280 -2.592595 -1.238853
H 6.514737 -0.725093 -0.942837
H 6.518650 -0.438072 0.809621
H 7.204713 1.683757 -1.327683
H 7.257161 1.954215 0.431528
H 9.071658 -0.093043 -1.072506
H 10.798181 0.668416 0.516135
H 9.581690 1.841955 1.309917


