%chk=000035506.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035506

0 1
 O    2.932100      -2.118800      0.2428000    
 O   -1.576500      -3.211300      0.1493000    
 O   0.4175000       3.453800      2.7000001E-02
 N    1.429700     -0.5005000     -0.4828000    
 N  -0.9427000      -1.063500     -0.4766000    
 N  -0.2360000       1.287500     -0.5119000    
 C   0.4094000      -1.482500     -0.8396000    
 C    1.125900      0.8809000     -0.8621000    
 C   -1.294700      0.3188000     -0.8224000    
 C    2.645500     -0.9347000      4.7300000E-02
 C   -1.844100      -2.015600      4.8000002E-03
 C  -0.4639000       2.597400     -8.1600003E-02
 C    3.649700      0.1345000      0.3981000    
 C   -3.221700      -1.519700      0.3679000    
 C   -1.886300       2.955700      0.2705000    
 C    4.887400     -0.4959000      0.9882000    
 C   -4.077300      -2.672200      0.8337000    
 C   -1.954000       4.386000      0.7473000    
 H   0.4345000      -1.602700      -1.929400    
 H   0.6409000      -2.456300     -0.3979000    
 H    1.845300       1.584400     -0.4418000    
 H    1.212600      0.9435000      -1.953600    
 H   -1.446800      0.3485000      -1.908100    
 H   -2.234900      0.6086000     -0.3605000    
 H    3.919100      0.6904000     -0.5058000    
 H    3.208700      0.8199000       1.129000    
 H   -3.139000     -0.7755000       1.166600    
 H   -3.687200      -1.060800     -0.5104000    
 H   -2.520900       2.835900     -0.6135000    
 H   -2.240700       2.291900       1.065900    
 H    5.617100      0.2779000       1.248400    
 H    5.367300      -1.180900      0.2807000    
 H    4.657900      -1.057000       1.900700    
 H   -5.080000      -2.316700       1.092500    
 H   -3.655600      -3.153400       1.722900    
 H   -4.185200      -3.434800      5.4600000E-02
 H   -2.984600       4.648000       1.008300    
 H   -1.619000       5.085100     -2.6699999E-02
 H   -1.334900       4.543700       1.637300    


%chk=000035506-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000035506

0 1
O 2.512150 -1.959388 0.548463
O -1.393906 -3.037396 0.294349
O 0.765619 2.844158 0.288390
N 1.434222 -0.549726 -0.948283
N -0.933215 -1.080170 -0.864733
N -0.203079 1.227870 -1.063771
C 0.413655 -1.568397 -1.256694
C 1.131286 0.768206 -1.524323
C -1.264987 0.256811 -1.399182
C 2.417958 -0.810729 0.029356
C -1.764397 -1.883813 -0.066904
C -0.281510 2.239034 -0.094339
C 3.364308 0.343251 0.386815
C -3.139177 -1.308603 0.319942
C -1.674943 2.601164 0.438985
C 4.395131 -0.071723 1.451916
C -3.950688 -2.298451 1.175394
C -1.644477 3.866640 1.315638
H 0.422675 -1.776027 -2.346971
H 0.633270 -2.488145 -0.693620
H 1.871384 1.522802 -1.233466
H 1.094659 0.681200 -2.628970
H -1.320328 0.193508 -2.506908
H -2.235776 0.596198 -1.022010
H 3.885685 0.680479 -0.532483
H 2.770766 1.209785 0.739847
H -2.997611 -0.359877 0.876642
H -3.705073 -1.054479 -0.599487
H -2.374172 2.740578 -0.409219
H -2.062046 1.746430 1.030970
H 5.059814 0.778087 1.689609
H 5.009887 -0.918113 1.102251
H 3.892501 -0.396242 2.378379
H -4.927522 -1.860004 1.447706
H -3.405586 -2.556485 2.098170
H -4.123118 -3.239751 0.627729
H -2.651315 4.079763 1.716699
H -1.302899 4.740405 0.735573
H -0.944546 3.740750 2.157640


