%chk=000100510.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100510

0 1
 O    2.629200      3.8600001E-02 -0.4590000    
 O   0.2414000      -1.673100      -1.166000    
 O   -2.071700       2.470300       1.502200    
 O  -0.3753000       1.087600       1.330600    
 O    4.163200       1.706600     -1.0100000E-02
 N   -2.160100     -0.7236000      9.4999997E-03
 N    1.123300      -1.947100      0.9654000    
 N   -3.221800       1.089500     -0.6644000    
 N   -1.555700       1.420300       1.021700    
 C   -1.235600      -1.579200      0.7467000    
 C    2.501800      -2.125000      0.5712000    
 C   0.1007000      -1.734100      5.2400000E-02
 C    3.240400     -0.8004000      0.5125000    
 C   -2.295900      0.6212000      0.1427000    
 C   -3.040300      -1.154100     -0.9301000    
 C   -3.690200     -1.2200000E-02  -1.335700    
 C    3.195000       1.273100     -0.6200000    
 C    2.451500       2.041800      -1.669800    
 H   -1.147200      -1.206900       1.771100    
 H   -1.696300      -2.572700      0.8089000    
 H    2.521800      -2.612000     -0.4099000    
 H    2.969900      -2.791000       1.302500    
 H   0.9101000      -1.979500       1.957900    
 H    4.286500     -0.9773000      0.2377000    
 H    3.204400     -0.3069000       1.491200    
 H   -3.133100      -2.189900      -1.225700    
 H   -4.470800      7.2800003E-02  -2.077400    
 H    1.407900       2.164500      -1.368900    
 H    2.517100       1.519100      -2.627200    
 H    2.900700       3.032800      -1.780900    


%chk=000100510-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100510

0 1
O 2.160073 0.205159 -0.435334
O -0.033140 -3.307625 -0.506105
O -0.426762 2.377996 1.117940
O -0.405171 0.375270 2.218927
O 3.876180 1.779405 -0.504350
N -1.911101 -0.806110 0.105110
N 0.969499 -1.886134 1.064653
N -2.045068 1.261352 -0.874173
N -0.758594 1.141667 1.211535
C -1.485538 -1.957162 0.937708
C 2.339377 -2.010767 0.543774
C -0.105984 -2.466260 0.438955
C 3.019475 -0.643071 0.432004
C -1.553558 0.553436 0.169160
C -2.652014 -0.942184 -1.061286
C -2.731629 0.338658 -1.643168
C 2.716141 1.443381 -0.825378
C 1.718704 2.243758 -1.626242
H -1.467189 -1.652375 1.992636
H -2.215579 -2.766713 0.788221
H 2.273441 -2.501713 -0.442012
H 2.955213 -2.654743 1.202516
H 0.772282 -1.152472 1.759452
H 4.025141 -0.738023 -0.014465
H 3.126214 -0.142927 1.413506
H -3.031921 -1.908746 -1.381774
H -3.239760 0.631415 -2.558244
H 0.963008 2.682054 -0.947743
H 1.181497 1.600187 -2.341666
H 2.237663 3.056489 -2.155057


