%chk=000033631.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033631

0 1
 O   -4.788800     -0.4095000      0.3298000    
 O   -3.580000       1.312600     -0.5378000    
 N  -2.8200001E-02 -0.9612000      0.1248000    
 C    1.239000     -0.3738000     -0.3059000    
 C    1.471000      0.9550000      0.4217000    
 C    2.385200      -1.356300     -4.1400000E-02
 C    2.824000       1.562100      5.4000001E-02
 C    3.736800     -0.7464000     -0.4091000    
 C    3.967100      0.5827000      0.3046000    
 C   -1.136800     -6.4400002E-02 -0.1637000    
 C   -2.457300     -0.6997000      0.2610000    
 C   -3.632000      0.1988000     -3.7999999E-02
 H    1.200700     -0.1864000      -1.388000    
 H    1.422200      0.8118000       1.509100    
 H   0.7253000       1.710400      0.1558000    
 H    2.236600      -2.277100     -0.6187000    
 H    2.399100      -1.644200       1.018200    
 H    2.988900       2.476100      0.6358000    
 H    2.818900       1.853200      -1.003800    
 H    3.784000     -0.5913000      -1.494100    
 H    4.539100      -1.446800     -0.1515000    
 H    4.911600       1.023900     -3.3300001E-02
 H    4.064800      0.4051000       1.382700    
 H  -0.1720000      -1.852000     -0.3502000    
 H   -1.064100      0.8732000      0.3950000    
 H   -1.172800      0.1798000      -1.232700    
 H   -2.448100     -0.9018000       1.338500    
 H   -2.608700      -1.642900     -0.2773000    
 H   -5.571800      0.1524000      0.1462000    


%chk=000033631-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033631

0 1
O -4.928498 -0.681082 0.231914
O -3.868140 1.252961 -0.491233
N -0.064008 -0.771905 0.160796
C 1.249481 -0.228908 -0.277196
C 1.614769 1.061263 0.498540
C 2.337327 -1.306103 -0.056255
C 3.014346 1.585640 0.095426
C 3.741076 -0.796386 -0.457474
C 4.101875 0.504113 0.299532
C -1.255732 -0.024440 -0.294191
C -2.521978 -0.678969 0.284968
C -3.784444 0.087178 -0.046080
H 1.237558 0.024693 -1.370853
H 1.591682 0.824155 1.580964
H 0.855212 1.846896 0.321835
H 2.084623 -2.218633 -0.636168
H 2.330800 -1.589282 1.016009
H 3.258642 2.491686 0.682880
H 3.000620 1.892517 -0.971390
H 3.763694 -0.601003 -1.549649
H 4.497275 -1.579950 -0.257410
H 5.086949 0.881824 -0.037054
H 4.193980 0.281085 1.382612
H -0.139557 -1.768421 -0.095879
H -1.194342 1.015515 0.069996
H -1.340244 0.036511 -1.407420
H -2.427399 -0.737973 1.387182
H -2.642243 -1.721619 -0.066424
H -5.739624 -0.138064 0.033723


