%chk=000048405.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048405

0 1
 O   0.9318000     -0.1056000       2.086600    
 O   7.9700001E-02 -0.8055000      -2.477900    
 O  -0.3636000      -4.229000      0.5451000    
 N   0.1888000      -2.139200       1.328300    
 N  -0.2362000      -2.488900     -0.9520000    
 C   -1.478500      0.2676000      6.3600004E-02
 C  -3.3000000E-02 -0.1838000     -0.1368000    
 C   -1.574300       1.287400       1.206600    
 C   -2.049800      0.8491000      -1.236600    
 C   -3.002800       1.794300       1.391500    
 C   -3.477600       1.356800      -1.047600    
 C   -3.570300       2.363400      9.4999999E-02
 C   0.8351000       1.033900     -0.4855000    
 C   0.4355000     -0.7819000       1.186000    
 C  -2.9200001E-02  -1.163900      -1.305600    
 C    2.285100      0.6659000     -0.5023000    
 C  -0.1679000      -3.032600      0.3252000    
 C    3.334400       1.442000     -0.1704000    
 C    4.773600       1.012600     -0.2082000    
 C    3.119100       2.857400      0.2951000    
 H   -2.100800     -0.5968000      0.3391000    
 H  -0.9679000       2.180100       1.041900    
 H   -1.271600      0.8538000       2.163900    
 H   -2.095400      9.9500000E-02  -2.031800    
 H   -1.454700       1.689400      -1.607000    
 H   -3.025500       2.563200       2.172300    
 H   -3.640000      0.9710000       1.737600    
 H   -4.142400      0.5089000     -0.8410000    
 H   -3.831600       1.820000      -1.975600    
 H   -4.616000       2.654200      0.2464000    
 H   -3.021300       3.273800     -0.1752000    
 H   0.6051000       1.435300      -1.478200    
 H   0.7104000       1.842000      0.2314000    
 H    2.523900     -0.3347000     -0.8612000    
 H   0.3631000      -2.538500       2.246300    
 H  -0.3751000      -3.145900      -1.714600    
 H    5.339000       1.629600     -0.9137000    
 H    5.226000       1.108900      0.7840000    
 H    4.874800     -3.1700000E-02 -0.5216000    
 H    2.183200       3.300700     -5.4499999E-02
 H    3.915100       3.505000     -9.0700001E-02
 H    3.147300       2.903300       1.388400    


%chk=000048405-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048405

0 1
O 0.928873 0.308654 2.156176
O 0.214425 -0.820844 -2.440375
O -0.134561 -4.028765 0.892204
N 0.301819 -1.813638 1.506547
N -0.089657 -2.364145 -0.752119
C -1.518166 0.455394 0.027918
C 0.042468 0.062398 -0.138527
C -1.733019 1.612983 1.040742
C -2.218292 0.801780 -1.314781
C -3.243397 1.861430 1.276074
C -3.729693 1.059806 -1.088391
C -3.974836 2.175949 -0.048306
C 0.920876 1.276969 -0.572214
C 0.493056 -0.439662 1.244276
C 0.096702 -1.040725 -1.207806
C 2.362774 0.910513 -0.872697
C 0.003009 -2.821456 0.573961
C 3.478897 1.306851 -0.193479
C 4.859055 0.877979 -0.669149
C 3.482758 2.190780 1.041285
H -2.021624 -0.448567 0.438589
H -1.279654 2.540579 0.638717
H -1.230447 1.401792 2.001027
H -2.090657 -0.004866 -2.057778
H -1.757447 1.709950 -1.751089
H -3.371511 2.692662 1.995749
H -3.696957 0.962220 1.742477
H -4.211926 0.122483 -0.740528
H -4.203725 1.321413 -2.053904
H -5.059983 2.301444 0.130879
H -3.601169 3.139875 -0.451280
H 0.464322 1.707718 -1.482512
H 0.866881 2.032963 0.225849
H 2.501343 0.284315 -1.766004
H 0.479623 -2.132374 2.464571
H -0.189312 -3.091937 -1.467378
H 5.498482 1.760377 -0.871321
H 5.378683 0.284465 0.109327
H 4.808974 0.271666 -1.590007
H 2.481360 2.334830 1.474189
H 3.917062 3.183489 0.806296
H 4.120090 1.744351 1.829093


