%chk=000124069.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124069

0 1
 O    4.473400      -1.785000     -0.4799000    
 O    5.982900      2.7100001E-02 -1.9999999E-04
 O   -5.013200      -1.852600     -7.5599998E-02
 O   -5.939800      0.3689000     -0.1490000    
 N   0.2231000      -1.394700      0.1971000    
 C  -0.3858000     -0.1218000      7.3799998E-02
 C    2.440600     -0.4395000     -0.2158000    
 C    1.482900      -1.554700     -0.5350000    
 C   0.4523000       1.031600      2.0500001E-02
 C    1.926100      0.8521000      4.6500001E-02
 C   -1.808500      6.6000000E-03  1.8700000E-02
 C    3.814300     -0.6213000     -0.2217000    
 C   -2.378400       1.312700     -5.0299998E-02
 C  -0.1528000       2.292600     -6.0899999E-02
 C    2.840000       1.895400      0.3313000    
 C    4.678600      0.4114000      4.8999999E-02
 C   -1.540600       2.430200     -8.3800003E-02
 C   0.1420000      -1.995800       1.527300    
 C   -2.690400      -1.102600     -2.0000001E-03
 C    4.222900       1.679000      0.3339000    
 C   -3.773100       1.489900     -9.9900000E-02
 C   -4.053300     -0.8883000     -5.5100001E-02
 C   -4.580400      0.3742000     -9.8399997E-02
 C    5.845300      -1.367300     -0.3370000    
 C   -6.208400      -1.047900     -0.1333000    
 H    1.282500      -1.552300      -1.614100    
 H    1.925700      -2.528700     -0.2952000    
 H   0.4392000       3.202200     -0.1176000    
 H    2.491000       2.897800      0.5658000    
 H   -1.958700       3.433600     -0.1448000    
 H  -0.8736000      -1.979800       1.934600    
 H   0.7990000      -1.472900       2.231500    
 H   0.4550000      -3.044700       1.485300    
 H   -2.319800      -2.123400      1.4800000E-02
 H    4.908400       2.490100      0.5529000    
 H   -4.215400       2.481000     -0.1475000    
 H    6.369500      -1.554100      -1.281200    
 H    6.314900      -1.967200      0.4509000    
 H   -6.829500      -1.278100      0.7399000    
 H   -6.764900      -1.310000      -1.040500    


%chk=000124069-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124069

0 1
O 4.560176 -1.820266 -0.379134
O 6.039441 -0.016745 0.211387
O -5.068397 -1.874746 0.021942
O -6.023808 0.328058 0.042486
N 0.189018 -1.410083 0.027178
C -0.384384 -0.093056 -0.050449
C 2.451507 -0.442941 -0.304674
C 1.469975 -1.530050 -0.710135
C 0.459038 1.048140 -0.136390
C 1.929444 0.871251 -0.049915
C -1.819112 0.046644 -0.039939
C 3.826224 -0.618556 -0.172550
C -2.399109 1.377243 -0.071374
C -0.144858 2.345649 -0.227712
C 2.815865 1.922635 0.311386
C 4.695307 0.435198 0.172510
C -1.526725 2.509178 -0.178005
C 0.181810 -2.044398 1.371844
C -2.677234 -1.112320 -0.023742
C 4.217186 1.723882 0.421973
C -3.829847 1.548280 -0.038335
C -4.040870 -0.898434 0.010580
C -4.610622 0.409725 0.014662
C 5.982248 -1.465434 -0.122263
C -6.347888 -1.122160 0.049313
H 1.251096 -1.446404 -1.793651
H 1.891726 -2.534447 -0.536552
H 0.495284 3.227585 -0.335655
H 2.415731 2.914222 0.541630
H -1.965702 3.511675 -0.234982
H -0.813320 -1.926467 1.830585
H 0.931948 -1.597577 2.061568
H 0.392971 -3.124200 1.272497
H -2.242982 -2.112259 -0.079271
H 4.891625 2.537818 0.698403
H -4.270996 2.548153 -0.063262
H 6.567738 -1.645027 -1.040359
H 6.348196 -2.047802 0.741374
H -6.888204 -1.364141 0.980742
H -6.926495 -1.364120 -0.858708


