%chk=000017511.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017511

0 1
 O  -0.5337000      0.1040000      -2.262100    
 N    2.928000       2.222300       1.008100    
 C  -0.4245000      9.4300002E-02 -0.8183000    
 C   0.6011000       1.183600     -0.4324000    
 C    2.031200      0.8266000     -0.8516000    
 C   -1.828500      0.5053000     -0.3295000    
 C   0.1357000      -1.286400     -0.4418000    
 C   -2.520900      9.1000004E-03  0.7947000    
 C   0.1552000      -1.772400      0.8784000    
 C    3.011600       1.936200     -0.4204000    
 C   -2.015700      -1.024200       1.771700    
 C  -0.5156000      -1.034900       2.000200    
 C    2.154100      0.6124000      -2.364500    
 C   -2.476600       1.530900      -1.076000    
 C   0.7667000      -2.084600      -1.426800    
 C   -3.831900      0.4786000       1.065700    
 C   0.7653000      -3.009400       1.174600    
 C   -3.757600       1.996500     -0.7782000    
 C    1.364500      -3.310500      -1.124000    
 C   -4.444400       1.458200      0.2919000    
 C    1.364700      -3.774200      0.1806000    
 C    3.834800       3.313200       1.368000    
 C    3.236500       1.025200       1.791400    
 H   0.3297000       2.134600     -0.9124000    
 H   0.5509000       1.369400      0.6445000    
 H    2.370100     -0.1004000     -0.3804000    
 H    4.035400       1.651200     -0.6998000    
 H    2.773600       2.848000     -0.9845000    
 H   -2.472400     -0.8225000       2.750500    
 H   -2.378900      -2.011000       1.455500    
 H  -0.3143000      -1.549500       2.948800    
 H  -0.1036000     -2.9800000E-02   2.123100    
 H    1.739000     -0.2868000      -2.788100    
 H    3.216400      0.5771000      -2.639300    
 H    1.727300       1.464100      -2.907800    
 H   -1.974900       1.992700      -1.925800    
 H   0.7137000      -1.848000      -2.483700    
 H   -1.280100     -0.4664000      -2.517200    
 H   -4.387200      7.8000002E-02   1.912800    
 H   0.7664000      -3.390300       2.193600    
 H   -4.210000       2.773800      -1.386300    
 H    1.809100      -3.907500      -1.914900    
 H   -5.444900       1.802000      0.5341000    
 H    1.822000      -4.727900      0.4245000    
 H    3.586700       4.221300      0.8072000    
 H    4.883500       3.061800       1.172100    
 H    3.732600       3.564900       2.429600    
 H    2.457100      0.2628000       1.714500    
 H    3.284200       1.273400       2.858800    
 H    4.198500      0.5805000       1.511200    


%chk=000017511-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017511

0 1
O -0.565501 -0.127562 -2.441186
N 2.864542 1.702965 1.139329
C -0.452154 -0.003268 -0.957451
C 0.544445 1.184235 -0.742207
C 2.023609 0.971279 -1.152593
C -1.856958 0.446328 -0.433339
C 0.120010 -1.339535 -0.411352
C -2.435779 0.193679 0.849679
C 0.273311 -1.611361 0.980607
C 2.925173 1.929475 -0.327279
C -1.812374 -0.610639 1.990545
C -0.269844 -0.677852 2.044628
C 2.268657 1.204016 -2.661910
C -2.589853 1.264895 -1.345156
C 0.618600 -2.291959 -1.339235
C -3.726729 0.726275 1.129804
C 0.891608 -2.820486 1.388734
C -3.862862 1.784636 -1.047133
C 1.224213 -3.497183 -0.921141
C -4.448941 1.502741 0.205958
C 1.365155 -3.767995 0.455946
C 3.345099 2.872225 1.905579
C 3.549014 0.460906 1.558137
H 0.126419 2.047002 -1.297456
H 0.532190 1.453041 0.328840
H 2.313912 -0.070999 -0.917501
H 3.977430 1.851099 -0.707001
H 2.592951 2.969982 -0.518504
H -2.179532 -0.176398 2.940484
H -2.200732 -1.649895 1.958826
H 0.026164 -1.059484 3.039512
H 0.160735 0.336658 1.957110
H 1.599060 0.567516 -3.262106
H 3.317990 0.981850 -2.935597
H 2.063144 2.258274 -2.934549
H -2.131177 1.488133 -2.312816
H 0.553034 -2.065157 -2.406497
H -1.316233 -0.748555 -2.634801
H -4.165807 0.520453 2.114511
H 0.997361 -3.017711 2.462899
H -4.386853 2.405013 -1.782816
H 1.592020 -4.209229 -1.668602
H -5.440433 1.891270 0.463912
H 1.837548 -4.695270 0.799144
H 2.756128 3.765677 1.631770
H 4.426856 3.104199 1.730994
H 3.209294 2.690212 2.987320
H 3.092572 -0.414763 1.067908
H 3.440504 0.330069 2.650050
H 4.642913 0.466497 1.316304


