%chk=000050053.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050053

0 1
 O    4.332700     -0.7692000     -0.5271000    
 O   -3.364300     -0.3998000      0.2320000    
 O   -1.893400       1.206000     -0.4664000    
 N   -6.870200      0.7477000      0.2709000    
 N   -1.177400     -0.9374000      0.1615000    
 C    6.388100      0.2614000      0.1411000    
 C    7.123300       1.578400      0.3730000    
 C    4.964300      0.4907000     -0.3456000    
 C   -5.745400     -0.1628000      0.4250000    
 C   -4.442600      0.5251000      4.9300000E-02
 C    8.530300       1.345800      0.9000000    
 C    2.973300     -0.8101000     -0.3553000    
 C   0.2064000     -0.8947000     -9.9999998E-03
 C   -7.265100      0.8501000      -1.136100    
 C   -8.007000      0.3092000       1.084100    
 C    2.363000      -1.978000      0.1022000    
 C    2.200200      0.3154000     -0.6402000    
 C   0.9796000      -2.020200      0.2749000    
 C   0.8168000      0.2731000     -0.4676000    
 C   -2.112700      6.9399998E-02 -6.5700002E-02
 H    6.929200     -0.3527000     -0.5897000    
 H    6.363500     -0.3272000       1.066900    
 H    7.177500       2.144500     -0.5641000    
 H    6.570100       2.193600       1.092200    
 H    4.446100       1.098200      0.4078000    
 H    4.975700       1.027900      -1.301000    
 H   -5.875600      -1.092800     -0.1443000    
 H   -5.645800     -0.4787000       1.472900    
 H   -4.276100       1.400100      0.6896000    
 H   -4.446700      0.8428000     -0.9986000    
 H    9.122500      0.7585000      0.1910000    
 H    9.039000       2.302100       1.057400    
 H    8.508300      0.8116000       1.855300    
 H   -7.562100     -0.1185000      -1.554900    
 H   -8.111100       1.538900      -1.243500    
 H   -6.461400       1.262800      -1.753400    
 H   -8.843800       1.009900      0.9863000    
 H   -8.357000     -0.6896000      0.7989000    
 H   -7.738200      0.2924000       2.146300    
 H    2.960500      -2.857800      0.3254000    
 H    2.633600       1.233900      -1.024900    
 H   0.5172000      -2.937000      0.6319000    
 H   0.2828000       1.180200     -0.7149000    
 H   -1.555600      -1.820100      0.4970000    


%chk=000050053-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050053

0 1
O 4.362810 -0.671745 0.357260
O -3.515041 -0.387213 0.387995
O -2.030694 1.396615 -0.039779
N -7.130033 0.512922 0.028021
N -1.297869 -0.807132 0.448394
C 6.597023 0.233317 0.162413
C 7.488723 1.468663 -0.103011
C 5.106918 0.572233 0.086688
C -5.915119 -0.322963 0.163077
C -4.655738 0.551134 0.224589
C 8.993880 1.133583 -0.028722
C 2.959336 -0.604899 0.354359
C 0.121574 -0.691176 0.402649
C -7.322644 1.049009 -1.335718
C -8.344922 -0.160681 0.529342
C 2.288920 -1.823067 0.628425
C 2.203276 0.565898 0.102965
C 0.885727 -1.864320 0.651981
C 0.791630 0.525568 0.126379
C -2.234367 0.187597 0.237970
H 6.823189 -0.560736 -0.574901
H 6.819390 -0.184458 1.163113
H 7.253029 1.888144 -1.102447
H 7.250266 2.262505 0.634053
H 4.835290 1.340099 0.841935
H 4.836988 0.956005 -0.920064
H -5.808381 -1.067282 -0.665316
H -5.985787 -0.894510 1.106261
H -4.695408 1.236538 1.088923
H -4.496942 1.147720 -0.690691
H 9.266024 0.366270 -0.777495
H 9.615641 2.027406 -0.218320
H 9.262858 0.738861 0.968937
H -7.505977 0.249088 -2.098113
H -8.189012 1.733957 -1.342504
H -6.438605 1.627182 -1.653905
H -9.197610 0.540905 0.490210
H -8.625507 -1.072766 -0.056906
H -8.199935 -0.460542 1.582216
H 2.884264 -2.720753 0.819699
H 2.694700 1.518981 -0.112536
H 0.379030 -2.813932 0.865861
H 0.208673 1.428494 -0.066888
H -1.687066 -1.727418 0.663199


