%chk=000062558.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062558

0 1
 O    2.839300      -3.779700      0.2693000    
 O    4.471900       2.680500     -0.3018000    
 O   -6.099200     -0.8772000      0.2379000    
 O   -3.141900       1.174000      3.0700000E-02
 N    2.247900     -0.1942000     -2.1500001E-02
 C    2.035200      -2.594200      0.2165000    
 C    3.201100       2.020600     -0.2397000    
 C    2.717000      -1.358000      0.7042000    
 C    3.203700      0.6166000     -0.7493000    
 C    2.490300      -3.291600      -1.032500    
 C    3.952400       2.397500       1.003900    
 C   0.8809000      0.1523000     -8.5000005E-03
 C   -5.376900      0.3580000      0.1541000    
 C   -5.694200     -0.4516000      -1.069500    
 C   -4.020300      0.3266000      0.7696000    
 C   0.3193000      0.8168000      -1.098800    
 C   9.0400003E-02 -0.1691000       1.095000    
 C   -1.822900      0.8387000      1.7899999E-02
 C   -1.032600       1.160000      -1.085700    
 C   -1.261400      0.1741000       1.108200    
 H    1.004900      -2.697800      0.5251000    
 H    2.339600       2.606700     -0.5261000    
 H    3.802100      -1.473500      0.5866000    
 H    2.566600      -1.239900       1.783500    
 H    4.214400      0.1989000     -0.6550000    
 H    2.998000      0.6019000      -1.825800    
 H    3.275300      -2.841000      -1.625800    
 H    1.758000      -3.853500      -1.597500    
 H    4.436700       1.618200       1.577900    
 H    3.585100       3.231600       1.587600    
 H   -5.913600       1.281500      0.3212000    
 H   -6.464400     -8.7099999E-02  -1.736600    
 H   -4.897100      -1.002500      -1.551700    
 H   -4.083600      0.6902000       1.801500    
 H   -3.664000     -0.7121000      0.7791000    
 H   0.8918000       1.067000      -1.986300    
 H   0.4922000     -0.6601000       1.975800    
 H   -1.466200       1.673400      -1.939600    
 H   -1.833300     -6.4000003E-02   2.000200    


%chk=000062558-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000062558

0 1
O 3.447822 -3.584541 1.104385
O 4.607356 2.608991 -0.952612
O -6.963486 -0.234835 0.602855
O -3.501402 0.906469 -0.292822
N 2.085865 -0.151417 -0.006957
C 2.662794 -2.560494 0.314457
C 3.462965 1.919233 -0.243333
C 2.654547 -1.152309 0.908648
C 3.021985 0.593545 -0.863160
C 3.902593 -3.159722 -0.273501
C 4.783291 2.066141 0.447430
C 0.693234 0.087600 -0.057882
C -5.824125 0.678335 0.214569
C -6.705417 0.107194 -0.849864
C -4.452640 0.099215 0.482512
C 0.150490 1.164349 -0.828894
C -0.231698 -0.730414 0.654843
C -2.132990 0.577822 -0.164629
C -1.233488 1.398129 -0.883474
C -1.622254 -0.487650 0.610863
H 1.693507 -2.932028 -0.043694
H 2.652882 2.600963 0.048500
H 3.691946 -0.868369 1.163168
H 2.094326 -1.161321 1.862497
H 3.918194 -0.025087 -1.051793
H 2.567401 0.785671 -1.852686
H 4.831602 -2.573928 -0.285310
H 3.819536 -3.933798 -1.045888
H 5.455308 1.200268 0.518765
H 4.907935 2.828771 1.225601
H -5.964383 1.725520 0.509855
H -7.468957 0.740786 -1.315644
H -6.333877 -0.726704 -1.458284
H -4.211461 0.157219 1.564284
H -4.419571 -0.963919 0.167367
H 0.805377 1.838569 -1.388097
H 0.117908 -1.577922 1.251502
H -1.634651 2.225965 -1.476663
H -2.285968 -1.148296 1.177186


