%chk=000018561.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018561

0 1
 O    2.450300       4.152400      0.5360000    
 O    1.582100     -0.7084000      0.1667000    
 O    1.672200     -0.1201000       2.395800    
 N    3.758300      -3.552400     -0.7132000    
 C    2.032300       2.794900      0.3150000    
 C   0.7905000       2.499000       1.133500    
 C    1.818400       2.656400      -1.182300    
 C   0.2241000       1.094600      0.8636000    
 C    2.880100       3.580200      -1.724100    
 C    2.847300       4.715700     -0.7233000    
 C   -1.077800      0.8755000       1.656200    
 C    1.244000      3.6300000E-02   1.259400    
 C   -1.938600     -0.2264000       1.084700    
 C   -2.918400      2.3800001E-02  0.1101000    
 C   -1.724900      -1.519100       1.564100    
 C   -3.692200      -1.052600     -0.3852000    
 C    2.524300      -1.758400      0.4051000    
 C   -3.147200       1.318500     -0.3837000    
 C   -2.485700      -2.577700       1.076700    
 C   -3.463300      -2.347400      0.1082000    
 C    2.789400      -2.483600     -0.9047000    
 C   -4.672000     -0.8027000      -1.359900    
 C   -4.125000       1.548600      -1.351900    
 C   -4.886000      0.4900000      -1.839000    
 C    3.119400      -4.732100     -0.1248000    
 C    4.398500      -3.905100      -1.982800    
 H    2.865300       2.157100      0.6349000    
 H   2.5800001E-02   3.256800      0.9172000    
 H    1.027600       2.621000       2.198700    
 H   0.8287000       3.025800      -1.478000    
 H    1.927600       1.630000      -1.543100    
 H   2.6000000E-03  0.9988000     -0.2063000    
 H    2.696000       3.909900      -2.749800    
 H    3.856800       3.082600      -1.693600    
 H    3.817000       5.209800     -0.6169000    
 H    2.100600       5.467100      -1.001200    
 H  -0.8426000      0.6285000       2.701600    
 H   -1.652700       1.803600       1.744900    
 H  -0.9699000      -1.719300       2.319800    
 H    3.453500      -1.324500      0.7944000    
 H    2.101500      -2.433400       1.156800    
 H   -2.574400       2.181100     -5.7700001E-02
 H   -2.318900      -3.583900       1.450000    
 H   -4.046200      -3.189800     -0.2584000    
 H    3.176000      -1.733700      -1.608800    
 H    1.851600      -2.840400      -1.351100    
 H   -5.278300      -1.615000      -1.755300    
 H   -4.289600       2.553800      -1.729000    
 H   -5.646200      0.6696000      -2.593700    
 H    2.312600      -5.124300     -0.7550000    
 H    3.856100      -5.531200      1.7999999E-02
 H    2.711200      -4.518900      0.8677000    
 H    5.145900      -4.692100      -1.831900    
 H    3.673500      -4.254200      -2.727100    
 H    4.933800      -3.043500      -2.397500    


%chk=000018561-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018561

0 1
O 2.690924 4.126426 0.786819
O 1.557607 -0.567659 0.064537
O 1.375307 -0.317132 2.373301
N 3.545991 -3.564044 -1.002443
C 2.133453 2.800190 0.381065
C 0.841335 2.572091 1.179669
C 1.973390 2.869113 -1.155914
C 0.141477 1.216534 0.872228
C 3.114293 3.829150 -1.577023
C 3.106769 4.865340 -0.433005
C -1.175518 1.087279 1.703353
C 1.068763 0.054121 1.216031
C -2.023549 -0.117136 1.321011
C -2.863621 -0.103740 0.142131
C -1.979102 -1.274522 2.111073
C -3.631584 -1.288665 -0.195320
C 2.466443 -1.734007 0.278647
C -2.979511 1.042474 -0.716540
C -2.735665 -2.440173 1.777265
C -3.547087 -2.448802 0.642997
C 2.649270 -2.387975 -1.096152
C -4.466944 -1.278331 -1.361745
C -3.802290 1.024345 -1.845514
C -4.552899 -0.147616 -2.175384
C 2.887289 -4.752529 -0.419247
C 4.204271 -3.879478 -2.286972
H 2.888213 2.030589 0.649506
H 0.138162 3.395573 0.947535
H 1.070925 2.628657 2.260383
H 0.989911 3.309031 -1.413763
H 2.045331 1.874919 -1.627178
H -0.089891 1.155145 -0.205978
H 2.946984 4.289490 -2.566010
H 4.077923 3.288131 -1.603232
H 4.096900 5.312537 -0.236227
H 2.375475 5.676247 -0.628889
H -0.891798 1.017195 2.768937
H -1.744416 2.028421 1.580975
H -1.342170 -1.284315 3.003178
H 3.429567 -1.377112 0.682510
H 2.001959 -2.405372 1.021533
H -2.420716 1.953505 -0.478058
H -2.674108 -3.324278 2.421286
H -4.132577 -3.337944 0.379832
H 3.111560 -1.648668 -1.775353
H 1.646493 -2.642268 -1.520510
H -5.042763 -2.180196 -1.603052
H -3.878357 1.912190 -2.483199
H -5.195033 -0.150700 -3.063028
H 2.044654 -5.136936 -1.048667
H 3.627987 -5.563466 -0.303787
H 2.486881 -4.522602 0.582725
H 4.925523 -4.703153 -2.138653
H 3.489427 -4.190312 -3.090761
H 4.764143 -2.998362 -2.647122


