%chk=000145887.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145887

0 1
 O   -1.208100       1.106000       2.124200    
 O   -1.210300       2.594800     -0.3064000    
 O   -3.665900     -0.1955000       1.755800    
 O   -4.889300     -0.1826000     -0.7471000    
 O   -3.403600      -2.221400      -1.991400    
 O    3.972600       1.806600     -0.5591000    
 O    3.261600      0.3316000      -2.123700    
 N    1.302700     -9.7499996E-02  4.4100001E-02
 C   -1.503000      0.4973000      0.8682000    
 C  -0.7424000       1.249300     -0.2466000    
 C   -3.037300      0.4782000      0.6667000    
 C   0.7728000       1.264000      5.2000000E-03
 C    2.745300     -8.4700003E-02  0.2319000    
 C    3.286500      -1.519800      0.4429000    
 C   -3.467100     -0.2129000     -0.6458000    
 C   -3.003500      -1.666300     -0.7490000    
 C    2.646600      -2.287200       1.605500    
 C    4.813100      -1.532500      0.5759000    
 C    3.329500      0.6726000     -0.9513000    
 H   -1.147400     -0.5349000      0.9538000    
 H  -0.9363000      0.7918000      -1.222100    
 H   -3.434000       1.499400      0.6942000    
 H    1.211100       1.860300     -0.8041000    
 H    1.002400       1.804700      0.9316000    
 H    2.976600      0.4778000       1.147300    
 H    3.060700      -2.092400     -0.4688000    
 H   -3.095200      0.3452000      -1.511500    
 H    1.060200     -0.5949000     -0.8123000    
 H   -1.917300      -1.764000     -0.6811000    
 H   -3.460900      -2.282700      3.0700000E-02
 H    1.566800      -2.397400       1.464100    
 H    2.814500      -1.767200       2.554600    
 H    3.071100      -3.293200       1.689900    
 H    5.134800     -0.9548000       1.449000    
 H    5.185700      -2.555900      0.6917000    
 H    5.295600      -1.108200     -0.3103000    
 H  -0.3097000      0.8389000       2.382000    
 H   -1.061700       2.999300      0.5655000    
 H   -3.209200      -1.042100       1.894700    
 H   -5.166900      0.7485000     -0.7072000    
 H   -2.991700      -1.692300      -2.695600    
 H    4.353500       2.291600      -1.321900    


%chk=000145887-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000145887

0 1
O -0.582458 -1.171475 0.961028
O -0.100632 1.543271 0.607484
O -3.250264 -1.304045 1.198809
O -5.058932 0.484746 0.398839
O -5.227470 0.086677 -2.314124
O 4.486273 1.423004 -0.728377
O 4.062683 -0.539783 -1.896543
N 1.587599 -0.708952 -0.462921
C -1.351913 -0.466019 -0.089643
C -0.488470 0.732398 -0.558447
C -2.686145 -0.090674 0.577319
C 0.767832 0.237199 -1.315331
C 2.784387 -0.070763 0.170351
C 3.392379 -0.999321 1.278814
C -3.788456 0.439456 -0.358926
C -4.030262 -0.403124 -1.631905
C 2.519797 -0.961429 2.556078
C 4.855375 -0.630876 1.626139
C 3.823113 0.214088 -0.924275
H -1.535854 -1.153450 -0.941415
H -1.062331 1.403948 -1.223175
H -2.491568 0.667802 1.363880
H 0.458299 -0.293210 -2.235408
H 1.367346 1.115908 -1.621928
H 2.473492 0.888504 0.617302
H 3.387170 -2.030654 0.866695
H -3.587472 1.487771 -0.640397
H 1.923231 -1.497391 -1.040942
H -3.204517 -0.289738 -2.357454
H -4.130416 -1.474420 -1.355571
H 1.460105 -1.195962 2.361100
H 2.570887 0.039333 3.026096
H 2.894357 -1.695748 3.292025
H 4.937992 0.424637 1.942931
H 5.208047 -1.265641 2.458588
H 5.541724 -0.788380 0.774727
H 0.383064 -1.225891 0.559200
H -0.053948 0.907333 1.375718
H -2.489275 -1.770493 1.638489
H -5.052922 -0.321885 0.985683
H -5.884591 0.277991 -1.589462
H 5.175642 1.552761 -1.436850


