%chk=000054954.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054954

0 1
 O    3.642700     -0.9727000       1.512200    
 O    4.497400      0.5741000      -1.627700    
 N   2.9899999E-02   1.192100      0.1515000    
 C    1.877900     -0.3623000      7.7299997E-02
 C    3.359800     -0.6144000      0.1591000    
 C   0.9654000      -1.407600     -3.0600000E-02
 C    4.211300      0.6115000     -0.2292000    
 C    1.357400      0.9214000      0.1667000    
 C  -0.4127000      -1.153200     -5.6000002E-02
 C  -0.8605000      0.1810000      3.8899999E-02
 C    3.566900       1.933900      8.0899999E-02
 C   -2.251100      0.4274000      1.5000000E-02
 C    2.250200       2.074200      0.2825000    
 C   -1.326900      -2.207100     -0.1698000    
 C    1.480800      -2.816600     -0.1049000    
 C   -3.170700     -0.6469000     -0.1016000    
 C   -2.693600      -1.956100     -0.1928000    
 C   -2.777900       1.733800      0.1051000    
 C   -4.552100     -0.3927000     -0.1242000    
 C   -4.153800       1.971400      8.1100002E-02
 C   -5.040300      0.9087000     -3.3300001E-02
 H    3.654600      -1.441200     -0.4958000    
 H    5.173200      0.5743000      0.2965000    
 H    4.207000       2.810400      0.1283000    
 H    1.817500       3.046100      0.4917000    
 H   -1.022000      -3.245200     -0.2623000    
 H    2.511500      -2.950400      0.2275000    
 H   0.9161000      -3.476600      0.5631000    
 H    1.406900      -3.189700      -1.131700    
 H   -3.380300      -2.794700     -0.2863000    
 H    4.583300      -1.214500       1.560100    
 H   -2.117800       2.594600      0.1961000    
 H    5.016700     -0.2298000      -1.799500    
 H   -5.264000      -1.211100     -0.2131000    
 H   -4.529400       2.988100      0.1521000    
 H   -6.110500       1.090900     -5.2000001E-02


%chk=000054954-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054954

0 1
O 3.661510 -0.982087 1.570191
O 4.460288 0.706385 -1.703892
N 0.020374 1.181443 0.165861
C 1.894459 -0.411903 0.068143
C 3.398387 -0.589820 0.162296
C 1.015290 -1.505454 -0.030617
C 4.235467 0.660220 -0.236563
C 1.351149 0.916413 0.171465
C -0.403352 -1.238428 -0.069990
C -0.853655 0.126459 0.035245
C 3.593117 1.974874 0.121724
C -2.283248 0.427401 0.012157
C 2.246385 2.075230 0.288195
C -1.387471 -2.288281 -0.199448
C 1.505277 -2.940712 -0.070196
C -3.229039 -0.649747 -0.118984
C -2.742721 -2.005530 -0.224451
C -2.762028 1.766902 0.114275
C -4.627453 -0.352560 -0.142803
C -4.137402 2.035108 0.088970
C -5.077596 0.969485 -0.040198
H 3.724659 -1.410244 -0.516314
H 5.220622 0.571708 0.280106
H 4.241546 2.855819 0.168842
H 1.759136 3.035216 0.487848
H -1.053227 -3.326933 -0.282931
H 2.586927 -3.012791 0.110618
H 1.009618 -3.541639 0.713763
H 1.276795 -3.416538 -1.043075
H -3.473500 -2.816950 -0.326037
H 4.642962 -1.066863 1.702978
H -2.022302 2.566284 0.211425
H 5.062491 -0.041143 -1.959896
H -5.344072 -1.176577 -0.242767
H -4.495561 3.067444 0.168228
H -6.150933 1.188913 -0.059267


