%chk=000158671.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158671

0 1
 O   -3.511600      -4.247600     -0.6687000    
 O    3.933400      -2.068300      8.2099997E-02
 O    5.271300      0.2361000     -0.7022000    
 N  -0.9562000       1.678100     -1.4600000E-02
 C   -2.599600     -0.7226000      0.2276000    
 C   -3.208400      0.6516000     -0.1186000    
 C  -0.3193000      0.4197000      0.4448000    
 C   -1.110900     -0.7583000     -0.1642000    
 C   -2.340700       1.781300      0.4621000    
 C  -0.1752000       2.844200      0.4070000    
 C    1.172800      0.3564000      0.1154000    
 C   -3.338200      -1.881100     -0.4475000    
 C   -4.645900      0.7981000      0.3885000    
 C    1.156200       2.847400     -0.3399000    
 C    1.873400       1.528300     -0.2332000    
 C   -2.796400      -3.222400      6.8999999E-03
 C    1.898100     -0.8407000      0.2384000    
 C   -5.253500       2.112700     -5.6499999E-02
 C    3.245800       1.471600     -0.5211000    
 C    3.266400     -0.8860000     -3.7400000E-02
 C    3.938500      0.2678000     -0.4252000    
 C    4.499900      -2.366300       1.356500    
 H   -2.665900     -0.8592000       1.316600    
 H   -3.216600      0.7532000      -1.213800    
 H  -0.3880000      0.3619000       1.541400    
 H   -1.004500     -0.7576000      -1.257900    
 H  -0.6724000      -1.690500      0.1970000    
 H   -2.734400       2.746400      0.1267000    
 H   -2.379100       1.775200       1.559600    
 H  -1.3200000E-02   2.838800       1.493200    
 H  -0.6993000       3.776000      0.1612000    
 H   -3.269900      -1.801600      -1.540100    
 H   -4.408000      -1.865100     -0.2173000    
 H   -4.686400      0.7196000       1.481200    
 H   -5.279200      1.8000000E-03 -1.2700000E-02
 H    1.785100       3.648100      6.7699999E-02
 H   0.9873000       3.063300      -1.402600    
 H   -1.744900      -3.364000     -0.2491000    
 H   -2.926400      -3.357700       1.085300    
 H    1.408800      -1.755000      0.5628000    
 H   -4.844200       2.964300      0.4943000    
 H   -5.112400       2.282800      -1.128600    
 H   -6.331700       2.104900      0.1379000    
 H    3.776100       2.374900     -0.8143000    
 H   -3.160000      -5.097600     -0.3533000    
 H    5.582600     -0.6817000     -0.6193000    
 H    3.713000      -2.459200       2.111700    
 H    5.215900      -1.593600       1.654000    
 H    5.027300      -3.321200       1.282000    


%chk=000158671-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000158671

0 1
O -3.530484 -4.325158 -0.332498
O 4.315560 -1.704518 0.487390
O 5.455703 0.481038 -0.571581
N -0.906609 1.756415 -0.033652
C -2.464651 -0.712604 0.321594
C -3.146630 0.630413 -0.087295
C -0.225677 0.547407 0.491455
C -0.962800 -0.695164 -0.068851
C -2.307222 1.822535 0.429885
C -0.143664 3.001236 0.199496
C 1.277154 0.549218 0.180683
C -3.192802 -1.941854 -0.282673
C -4.612150 0.728960 0.415162
C 1.142519 2.961463 -0.640271
C 1.928624 1.690326 -0.356855
C -2.560613 -3.291199 0.076340
C 2.048397 -0.606028 0.486787
C -5.346487 2.027829 0.010272
C 3.324758 1.654432 -0.606954
C 3.429362 -0.629394 0.236441
C 4.077472 0.506874 -0.323962
C 3.754496 -2.921304 1.069818
H -2.523706 -0.786606 1.433013
H -3.146250 0.687547 -1.197046
H -0.335222 0.515448 1.614611
H -0.856670 -0.692429 -1.171166
H -0.475035 -1.611339 0.312758
H -2.738706 2.768538 0.057165
H -2.371083 1.846658 1.553121
H 0.110676 3.144765 1.281361
H -0.774216 3.855922 -0.108038
H -3.237539 -1.846646 -1.385693
H -4.236171 -1.981664 0.079894
H -4.623159 0.626802 1.521152
H -5.188560 -0.127720 0.018894
H 1.767919 3.849608 -0.427189
H 0.861779 3.003333 -1.710822
H -1.595890 -3.436987 -0.453485
H -2.372947 -3.342361 1.172775
H 1.560057 -1.480914 0.927720
H -4.916453 2.920982 0.498468
H -5.298553 2.184769 -1.084181
H -6.413478 1.978355 0.295536
H 3.840210 2.528412 -1.018848
H -3.135070 -5.222384 -0.192725
H 5.803237 -0.408702 -0.296931
H 2.990379 -3.364659 0.402067
H 3.308412 -2.717421 2.062593
H 4.601284 -3.615026 1.178067


