%chk=000056694.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056694

0 1
 O   -1.524100      -1.602100      -1.005300    
 O    1.174800      -1.811500     -0.8438000    
 O    1.897600       2.405900      0.1758000    
 N   -3.667700     -0.7563000      0.5146000    
 N  -0.1256000     -0.2778000      0.3424000    
 N    2.501500      -2.192100      -1.005100    
 C   -2.503600      0.1201000      0.3767000    
 C   -2.786100       1.380600     -0.4766000    
 C   -1.339600     -0.6997000     -0.1932000    
 C   -1.583300       2.330200     -0.4755000    
 C   -3.193500       1.066500      -1.921000    
 C   -4.804100     -1.3000000E-02   1.056500    
 C   -3.348000      -1.898300       1.369600    
 C    1.133700     -0.8044000      4.4599999E-02
 C    2.365000     -0.4828000      0.4937000    
 C    2.755100      0.5512000       1.466200    
 C    3.193400      -1.384500     -0.1964000    
 C    3.061100       1.918000      0.8314000    
 C    4.658200      -1.514800     -0.1156000    
 C    2.135100       3.664700     -0.4390000    
 H   -2.215000      0.4645000       1.381600    
 H   -3.597100       1.958600     -1.8700000E-02
 H   -1.244000       2.542000      0.5437000    
 H  -0.7436000       1.932500      -1.053600    
 H   -1.858500       3.287900     -0.9321000    
 H   -2.384900      0.5775000      -2.473600    
 H   -4.074200      0.4182000      -1.959000    
 H   -3.444000       1.989800      -2.455100    
 H  -0.1218000      0.4813000       1.018600    
 H   -4.553000      0.5305000       1.974700    
 H   -5.225300      0.6842000      0.3261000    
 H   -5.628700     -0.6967000       1.293700    
 H   -3.004400      -1.586300       2.363300    
 H   -4.238600      -2.523100       1.510700    
 H   -2.599300      -2.570400      0.9414000    
 H    3.635000      0.2208000       2.031200    
 H    1.948200      0.6778000       2.199400    
 H    3.879100       1.822800      0.1072000    
 H    3.362800       2.621800       1.615700    
 H    4.959100      -1.840400      0.8854000    
 H    5.043200      -2.245200     -0.8351000    
 H    5.143400     -0.5558000     -0.3244000    
 H    2.420200       4.409800      0.3099000    
 H    2.915300       3.577800      -1.201400    
 H    1.210800       3.992000     -0.9223000    


%chk=000056694-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056694

0 1
O -1.444343 -1.562877 -1.082530
O 1.415950 -1.565533 -1.541432
O 1.258864 1.909003 1.425359
N -3.301823 -0.170482 0.824235
N 0.124903 -0.135935 -0.074087
N 2.825024 -2.012537 -1.656389
C -2.248077 0.506772 0.032865
C -2.819362 1.282390 -1.207359
C -1.181883 -0.518527 -0.432219
C -1.682459 1.977101 -1.995523
C -3.676036 0.386858 -2.129454
C -4.347804 0.748498 1.314743
C -2.753925 -1.003522 1.917352
C 1.320402 -0.762029 -0.407456
C 2.564464 -0.644359 0.216640
C 2.898065 0.090313 1.494078
C 3.450681 -1.435661 -0.599567
C 2.707697 1.617741 1.450521
C 4.919674 -1.692608 -0.399062
C 0.968564 3.345244 1.391428
H -1.721559 1.277029 0.669880
H -3.465487 2.086331 -0.798331
H -1.046994 2.601594 -1.336640
H -1.031719 1.238904 -2.498533
H -2.108190 2.633457 -2.775947
H -3.057406 -0.403459 -2.586960
H -4.475552 -0.119049 -1.561569
H -4.131613 0.993999 -2.934238
H 0.270246 0.698566 0.531598
H -3.945083 1.583953 1.945279
H -4.909776 1.190403 0.475706
H -5.064079 0.175691 1.929215
H -2.177679 -0.414938 2.677058
H -3.585574 -1.510767 2.437014
H -2.094671 -1.783442 1.502516
H 3.955804 -0.103188 1.752105
H 2.295412 -0.296553 2.340137
H 3.188306 2.055738 0.550425
H 3.145228 2.085628 2.358331
H 5.107591 -2.211100 0.559080
H 5.302973 -2.327516 -1.214150
H 5.495721 -0.749150 -0.393058
H 1.374659 3.847226 2.292159
H 1.393850 3.820255 0.484100
H -0.128386 3.442337 1.379979


