%chk=000152031.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152031

0 1
 O   0.9160000       1.620900      1.9300001E-02
 O    2.405500     -0.2930000      -1.258800    
 O   0.2499000     -0.3624000      0.9425000    
 N    3.630300     -0.5823000      0.6911000    
 N   -1.245500       1.038500     -0.1894000    
 C    2.238600       1.384500      0.4722000    
 C    2.755900      9.3400002E-02 -0.1458000    
 C    3.099600       2.570300      6.6699997E-02
 C    4.233500      -1.843000      0.3278000    
 C   -2.474500      0.3450000     -0.1099000    
 C    3.780000      -2.291400      -1.051200    
 C  -1.8900000E-02  0.6568000      0.3185000    
 C   -3.605500      0.8985000     -0.6886000    
 C   -2.524700     -0.8751000      0.5454000    
 C   -4.818400      0.2140000     -0.6100000    
 C   -3.737500      -1.559600      0.6240000    
 C   -4.884300      -1.015000      4.6300001E-02
 H    2.228000       1.310800       1.566700    
 H    2.701500       3.498400      0.4903000    
 H    3.106700       2.694100      -1.022200    
 H    4.134000       2.443800      0.4012000    
 H    5.319500      -1.713200      0.3589000    
 H    3.953000      -2.577100       1.089300    
 H    3.869000     -0.1860000       1.595200    
 H    2.707900      -2.508400      -1.102600    
 H    4.110400      -1.622100      -1.852300    
 H    4.270600      -3.249800      -1.266400    
 H   -1.269800       1.928000     -0.6821000    
 H   -3.565200       1.855100      -1.202200    
 H   -1.681200      -1.359300       1.015700    
 H   -5.711500      0.6380000      -1.059800    
 H   -3.790300      -2.516800       1.134600    
 H   -5.828600      -1.547900      0.1075000    


%chk=000152031-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152031

0 1
O 0.917660 1.574403 -0.417128
O 3.968286 0.742800 -1.644186
O 0.409657 -0.166941 1.093674
N 2.866635 -0.814666 -0.289278
N -1.229897 0.912172 -0.236100
C 2.354690 1.569596 0.040292
C 3.141750 0.464013 -0.722470
C 2.894570 2.963915 -0.243638
C 3.502908 -2.003851 -0.880968
C -2.431223 0.231604 0.115092
C 4.589768 -2.610046 0.033457
C 0.047049 0.684911 0.231466
C -3.619695 0.630437 -0.552960
C -2.478172 -0.801099 1.087742
C -4.844804 0.001604 -0.253421
C -3.713819 -1.420866 1.374208
C -4.900403 -1.030012 0.712770
H 2.343523 1.335234 1.122060
H 2.273290 3.725477 0.256993
H 2.918149 3.152222 -1.328495
H 3.930483 3.042861 0.128734
H 2.720647 -2.756433 -1.096237
H 3.948057 -1.686448 -1.839480
H 2.145577 -0.926174 0.437951
H 5.392597 -1.874942 0.216032
H 4.170198 -2.917210 1.008892
H 5.037311 -3.501535 -0.443409
H -1.301246 1.658458 -0.932126
H -3.584079 1.428729 -1.305314
H -1.563547 -1.101878 1.602175
H -5.754385 0.317762 -0.775612
H -3.745401 -2.217574 2.125815
H -5.852135 -1.518823 0.945371


