%chk=000161746.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161746

0 1
 O    1.408600      0.5724000      0.9902000    
 O    1.208400      -2.324900      -1.115900    
 O    3.377100      -1.634400      0.3773000    
 O    2.520000       3.036700      0.2866000    
 O   -2.423700       1.519900     -0.3367000    
 O   -1.554600      -2.309100      0.7251000    
 O   -4.617300      0.9508000     -0.3736000    
 N   -3.087700     -0.6782000      0.1752000    
 C    1.402200     -0.9574000     -0.8155000    
 C    2.840700     -0.6238000     -0.4758000    
 C   0.6767000     -0.5469000      0.4583000    
 C    2.686700      0.6653000      0.3222000    
 C  -0.7394000     -0.1403000      0.2337000    
 C    2.673900       1.912700     -0.5508000    
 C   -1.807300      -1.151000      0.4050000    
 C   -1.115600       1.092700     -0.1162000    
 C   -3.448600      0.6154000     -0.1889000    
 H    1.079500     -0.3609000      -1.677700    
 H    3.493500     -0.5449000      -1.349000    
 H   0.7200000      -1.337400       1.217400    
 H    3.447000      0.7624000       1.105600    
 H    1.841800       1.905100      -1.261000    
 H    3.614200       2.009200      -1.102400    
 H   0.2569000      -2.462500      -1.260600    
 H    2.910100      -1.611800       1.229000    
 H  -0.4436000       1.924300     -0.2771000    
 H    2.518800       3.824100     -0.2840000    
 H   -3.845600      -1.346500      0.2840000    


%chk=000161746-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161746

0 1
O 1.210674 1.040416 0.556434
O 1.259725 -2.442157 -0.634452
O 3.378468 -1.448994 0.543839
O 3.072049 3.225503 0.085482
O -2.842840 1.465570 0.257224
O -1.426021 -2.386753 -0.135877
O -4.983406 0.634405 -0.064171
N -3.177907 -0.864638 -0.068648
C 1.304501 -0.993142 -0.696498
C 2.773984 -0.550351 -0.432859
C 0.556742 -0.271587 0.465635
C 2.656658 0.858282 0.199410
C -0.923355 -0.038909 0.279468
C 3.084443 1.998568 -0.718181
C -1.801053 -1.180616 0.020072
C -1.475617 1.209315 0.383564
C -3.774008 0.399877 0.031583
H 0.947642 -0.609644 -1.673962
H 3.363373 -0.549472 -1.371716
H 0.733599 -0.865916 1.390274
H 3.251545 0.884608 1.129956
H 2.390335 2.072668 -1.583059
H 4.108457 1.777866 -1.091419
H 0.306569 -2.717347 -0.470649
H 2.968894 -2.345137 0.372928
H -0.896842 2.114093 0.571262
H 3.342459 3.993202 -0.477827
H -3.816366 -1.648709 -0.243414


