%chk=000123715.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123715

0 1
 O   0.7260000       2.343500       1.176300    
 O   0.1557000      -4.148900     -0.6971000    
 O   -1.139200      1.2600000E-02  -1.492400    
 O   -2.916100      0.2978000       1.627100    
 O   -4.650200      -1.081100       1.138200    
 N   0.6874000       2.047000      -1.123400    
 N    3.542000       2.784400      0.5434000    
 N   -2.827200       1.417700     -0.7317000    
 C    2.761700       1.642800      6.4499997E-02
 C    3.018900      0.4216000      0.9594000    
 C    2.252000     -0.8020000      0.5156000    
 C    1.294600       2.056900      0.1238000    
 C   0.9835000      -1.028600       1.023700    
 C    2.833000      -1.674200     -0.3904000    
 C  -0.7053000       2.381600      -1.301600    
 C   0.2761000      -2.159000      0.6142000    
 C    2.125600      -2.804400     -0.7998000    
 C   0.8471000      -3.046900     -0.2975000    
 C   -1.546900       1.129000      -1.181600    
 C   -3.856300      0.4154000     -0.5719000    
 C   -3.862600     -0.2055000      0.8012000    
 H    3.060900       1.417200     -0.9654000    
 H    4.091900      0.1855000      0.9724000    
 H    2.758300      0.6437000       2.003900    
 H    1.218900       1.775300      -1.944800    
 H    3.436000       3.565400     -0.1034000    
 H    4.533100       2.546300      0.5397000    
 H   0.5297000     -0.3516000       1.741000    
 H    3.827100      -1.492200     -0.7887000    
 H   -1.000300       3.129000     -0.5585000    
 H  -0.8319000       2.798200      -2.305100    
 H  -0.7194000      -2.342100       1.009300    
 H    2.581200      -3.487900      -1.511200    
 H   -3.068200       2.376100     -0.4965000    
 H   -4.818100      0.9084000     -0.7378000    
 H   -3.703500     -0.3765000      -1.311200    
 H   0.6999000      -4.650300      -1.328500    
 H   -2.939200     -0.1234000       2.512600    


%chk=000123715-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123715

0 1
O 0.353524 2.170524 0.938397
O -0.039763 -4.355819 -0.645006
O -2.400883 1.494088 -2.712766
O -2.579708 0.269577 2.012101
O -4.311192 -1.129707 1.341474
N 0.627569 2.382538 -1.351940
N 3.394757 2.740037 0.386872
N -2.058780 1.174629 -0.428264
C 2.573276 1.605151 -0.038968
C 2.731492 0.440683 0.978331
C 2.024234 -0.836162 0.550058
C 1.093912 2.061607 -0.091347
C 0.720126 -1.142394 1.023503
C 2.638827 -1.745875 -0.347056
C -0.734306 2.907552 -1.561103
C 0.050017 -2.314028 0.618199
C 1.981007 -2.923418 -0.766450
C 0.681235 -3.204324 -0.280624
C -1.808342 1.796719 -1.630201
C -3.011294 0.067727 -0.364330
C -3.397318 -0.333014 1.046649
H 2.850404 1.212568 -1.051604
H 3.817237 0.251223 1.098936
H 2.340138 0.804464 1.944706
H 1.197766 2.155497 -2.168747
H 3.409682 3.571954 -0.201221
H 4.264875 2.525483 0.871902
H 0.224066 -0.447213 1.709771
H 3.652331 -1.541861 -0.715141
H -0.960652 3.593821 -0.725405
H -0.769718 3.459534 -2.512831
H -0.948293 -2.562473 0.992445
H 2.478296 -3.617512 -1.456880
H -1.506381 1.434808 0.403968
H -3.931498 0.324891 -0.920306
H -2.609996 -0.839365 -0.863980
H 0.478691 -4.912203 -1.277703
H -2.859138 -0.018907 2.922360


