%chk=000127616.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127616

0 1
 O   -1.203500      -2.572500       1.270500    
 O   -3.674700     -0.5994000      0.1953000    
 O   -3.927300       1.791000      4.6200000E-02
 O    1.351400      -2.955600     -0.2083000    
 N    2.869700       1.162000      4.1800000E-02
 C    2.378700     -0.1335000     -7.6800004E-02
 C    1.097500     -0.5355000     -0.1103000    
 C  -0.1050000      0.3092000     -8.8900000E-02
 C  -0.8827000      -1.998500      1.8500000E-02
 C   -1.234800     -0.5341000      1.8200001E-02
 C    3.573600      -1.066400     -0.1347000    
 C    4.326300       1.220400      2.2900000E-02
 C    2.130600       2.347600      0.4418000    
 C  -0.2402000       1.701500     -0.2059000    
 C    4.718500     -0.2036000      0.3944000    
 C   0.9331000       2.611000     -0.4622000    
 C   0.6385000      -1.969800     -0.1224000    
 C   -2.482200      3.8600001E-02  7.3500000E-02
 C   -1.536400       2.249900     -0.1644000    
 C   -1.520700      -2.781600      -1.121400    
 C   -2.622900       1.402700     -1.1700000E-02
 C   -4.587400      0.5165000      0.1839000    
 H    3.468300      -1.958400      0.4879000    
 H    3.766300      -1.361100      -1.172300    
 H    4.735400       1.940400      0.7395000    
 H    4.674100       1.478500     -0.9833000    
 H    2.791800       3.221100      0.3810000    
 H    1.824100       2.257100       1.491400    
 H    4.776000     -0.2987000       1.486500    
 H    5.690100     -0.4923000     -1.7200001E-02
 H    1.216500       2.531000      -1.519300    
 H   0.6192000       3.649900     -0.2981000    
 H   -1.692700       3.320400     -0.2601000    
 H   -2.610400      -2.821600      -1.017100    
 H   -1.283200      -2.345800      -2.098300    
 H   -1.171700      -3.820900      -1.123500    
 H  -0.9669000      -3.515200       1.239500    
 H   -5.156300      0.5149000       1.120800    
 H   -5.285200      0.3906000     -0.6519000    


%chk=000127616-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127616

0 1
O -1.236410 -2.597388 1.320070
O -3.827668 -0.567206 0.000299
O -4.059366 1.811542 -0.150449
O 1.373641 -2.986556 -0.032059
N 2.906024 1.141006 0.193719
C 2.425936 -0.128183 -0.028852
C 1.082430 -0.517982 -0.102448
C -0.141195 0.313145 -0.115278
C -0.890227 -1.998078 0.007961
C -1.292216 -0.543228 -0.012988
C 3.609186 -1.074179 -0.196229
C 4.392729 1.215566 0.140012
C 2.107170 2.338479 0.509638
C -0.276968 1.717867 -0.268357
C 4.829754 -0.259427 0.310218
C 0.935050 2.608417 -0.473957
C 0.669486 -1.923318 -0.071987
C -2.547019 0.047535 -0.021104
C -1.581169 2.298218 -0.252289
C -1.488207 -2.841231 -1.133343
C -2.682132 1.452342 -0.120868
C -4.773647 0.558884 0.207520
H 3.434864 -2.020524 0.339203
H 3.707154 -1.348290 -1.264676
H 4.770869 1.871189 0.944709
H 4.718664 1.640677 -0.832128
H 2.801035 3.197690 0.489058
H 1.704744 2.255802 1.538370
H 5.009122 -0.474767 1.378325
H 5.754712 -0.487569 -0.243783
H 1.328169 2.501895 -1.505287
H 0.634302 3.666539 -0.358114
H -1.716447 3.378670 -0.359174
H -2.579237 -2.925681 -0.993760
H -1.289701 -2.384582 -2.120012
H -1.035399 -3.849328 -1.120753
H -0.690978 -3.427842 1.391393
H -5.056616 0.597655 1.277598
H -5.634940 0.432042 -0.464697


