%chk=000147258.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147258

0 1
 O   -2.365500      -1.580500       1.802200    
 O   -2.798100       1.771600      0.2129000    
 O    3.972900      0.7496000      0.6228000    
 O    1.693200      -3.283200     -0.6251000    
 O    1.527800       1.714700       1.271600    
 O   -2.683900       3.480200      -1.325800    
 N   -2.705200     -0.9336000      -1.891100    
 N  -0.8399000      -2.015900      3.6499999E-02
 N   -4.615700       3.067700     -0.1490000    
 C   -2.952300      -1.116400     -0.4633000    
 C   -1.860600      -1.082600      0.5619000    
 C   -2.681500      -2.285000      -1.359200    
 C   -1.363500      -2.906200     -0.9922000    
 C   -1.068800      0.2388000      0.8189000    
 C   0.4127000      -1.457600      0.1285000    
 C   0.3611000     -0.2067000      0.5867000    
 C   -1.451200       1.427600     -5.6499999E-02
 C    1.670100      -2.123100     -0.2284000    
 C    1.573500      0.5834000      0.8012000    
 C   -3.234900     -0.6433000       2.417000    
 C    2.869200     -5.4800000E-02  0.4216000    
 C    2.925000      -1.311700     -6.8499997E-02
 C    4.252300       1.515300     -0.5327000    
 C    4.977300       2.823600     -0.3251000    
 C    3.517600       2.827100     -0.6732000    
 C    4.176600      -2.028800     -0.4973000    
 C   -3.308400       2.829800     -0.4943000    
 H   -3.965500     -0.9466000     -0.1371000    
 H   -3.472300      -2.957800      -1.646500    
 H   -1.754500     -0.6132000      -2.066300    
 H   -1.511100      -3.907900     -0.5771000    
 H  -0.7074000      -2.969400      -1.866500    
 H   -1.127400      0.5534000       1.865500    
 H   -1.306100       1.224400      -1.122000    
 H  -0.8195000       2.288000      0.1968000    
 H   -3.825400     -3.2900002E-02   1.731600    
 H   -2.681000     -1.0000000E-03   3.107700    
 H   -3.940200      -1.212900       3.030900    
 H    4.502000      0.9866000      -1.448700    
 H    5.678300       3.138600      -1.088000    
 H    5.258100       3.096100      0.6848000    
 H    2.867300       3.211300      9.7999997E-02
 H    3.239000       3.136400      -1.674000    
 H    5.072900      -1.420600     -0.3408000    
 H    4.127500      -2.279800      -1.561900    
 H    4.305300      -2.952600      7.6399997E-02
 H   -5.089800       2.500200      0.5455000    
 H   -5.147800       3.817300     -0.5781000    


%chk=000147258-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000147258

0 1
O -2.181565 -1.219028 1.963802
O -3.047324 1.834907 -0.078082
O 3.948982 0.851563 -0.621091
O 1.645144 -3.315244 -0.661763
O 1.400962 2.175603 -0.032535
O -3.359462 3.149606 -2.012297
N -2.774377 -1.629204 -1.822050
N -0.813693 -1.944805 0.186879
N -4.969866 3.037077 -0.306251
C -3.027261 -1.335524 -0.354921
C -1.849400 -0.936672 0.550605
C -2.770230 -2.765746 -0.820879
C -1.405789 -3.219355 -0.272530
C -1.119705 0.455554 0.403951
C 0.385536 -1.335364 -0.088974
C 0.308823 0.045360 0.053452
C -1.716534 1.436721 -0.613355
C 1.643816 -2.045987 -0.491141
C 1.456220 0.893685 -0.116553
C -3.313771 -0.450853 2.507994
C 2.759410 0.167609 -0.445875
C 2.836832 -1.207491 -0.656845
C 4.147875 2.254356 -0.254595
C 5.604966 2.619326 -0.056517
C 4.646869 2.544669 1.156860
C 4.139144 -1.874086 -1.034222
C -3.768460 2.724901 -0.906382
H -4.018748 -0.941760 -0.130343
H -3.565095 -3.505445 -0.936832
H -1.810767 -1.378417 -2.123667
H -1.543885 -3.911652 0.577769
H -0.745604 -3.698253 -1.013490
H -1.137726 0.946561 1.395253
H -1.852442 0.994883 -1.615466
H -1.074253 2.328964 -0.698141
H -4.284436 -0.853816 2.158586
H -3.247533 0.622004 2.243143
H -3.244052 -0.573212 3.600130
H 3.443551 2.937809 -0.727844
H 5.941865 3.595821 -0.414289
H 6.336501 1.812203 -0.154634
H 4.772511 1.692751 1.831423
H 4.303663 3.465742 1.634868
H 4.538512 -1.463286 -1.979330
H 3.982870 -2.958203 -1.147915
H 4.912345 -1.699469 -0.263734
H -5.212016 2.661658 0.606897
H -5.600207 3.671135 -0.788768


