%chk=000176708.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176708

0 1
 O    2.906400      9.9999997E-05   1.044400    
 O    3.690400     -5.0000002E-04  -1.120200    
 N   0.3996000      6.9999998E-04  0.3293000    
 C  -0.9966000      9.9999997E-05  0.2250000    
 C   -1.706900       1.207900      0.1727000    
 C   -1.705800      -1.208300      0.1723000    
 C   -3.098000       1.207300      7.0100002E-02
 C   -3.096800      -1.208700      6.9600001E-02
 C   -3.792900     -8.9999998E-04  1.8400000E-02
 C  -0.9899000       2.517900      0.2260000    
 C  -0.9878000      -2.517700      0.2251000    
 C    1.323900      1.0000000E-03 -0.6739000    
 C    2.772700       0.000000     -0.3115000    
 C    1.030400      1.4000000E-03  -1.982500    
 C    4.251300     -3.0000001E-04   1.535200    
 H   -3.655900       2.139000      2.7700000E-02
 H   -3.654100      -2.140700      2.6799999E-02
 H   0.7620000     -7.9999998E-04   1.276700    
 H   -4.876000     -1.4000000E-03 -6.2199999E-02
 H   -1.686700       3.357700      0.3241000    
 H  -0.3190000       2.559300       1.090600    
 H  -0.4115000       2.674800     -0.6900000    
 H  -0.3167000      -2.558800       1.089600    
 H   -1.683800      -3.358100      0.3233000    
 H  -0.4094000      -2.674000     -0.6910000    
 H   5.9000002E-03  1.8000000E-03  -2.340800    
 H    1.797100      1.3000000E-03  -2.750700    
 H    4.775700     -0.9008000       1.201600    
 H    4.214100     -9.9999997E-05   2.627800    
 H    4.776200      0.8998000       1.201300    


%chk=000176708-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176708

0 1
O 2.923156 -0.002632 1.063840
O 3.703521 0.007646 -1.134099
N 0.399796 -0.000967 0.404021
C -1.034299 -0.001082 0.257284
C -1.727114 1.241617 0.181990
C -1.727032 -1.244028 0.185654
C -3.137396 1.222136 0.045152
C -3.137337 -1.225120 0.048994
C -3.839036 -0.001618 -0.019429
C -0.966324 2.553044 0.245952
C -0.965997 -2.555181 0.252878
C 1.280834 0.003714 -0.680404
C 2.741211 0.002953 -0.334544
C 0.932045 0.008781 -2.009293
C 4.331510 -0.003336 1.522167
H -3.683616 2.170943 -0.012616
H -3.683485 -2.174133 -0.006012
H 0.819536 -0.006173 1.334710
H -4.929793 -0.001813 -0.125745
H -1.644518 3.411250 0.101405
H -0.458605 2.679789 1.220440
H -0.179835 2.596007 -0.529314
H -0.460407 -2.680914 1.228629
H -1.643662 -3.413727 0.107864
H -0.177850 -2.598772 -0.520644
H -0.112811 0.009040 -2.330541
H 1.719835 0.012222 -2.764297
H 4.852107 -0.900047 1.146792
H 4.272907 -0.007974 2.619655
H 4.850559 0.897375 1.154312


