%chk=000128576.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128576

0 1
 O    3.624900     -0.2109000     -0.6253000    
 O    2.809700     -0.1057000       1.558300    
 O    7.394000      -1.175200      0.6903000    
 O    7.015200     -0.2184000      -2.010900    
 O    5.464600      9.9100001E-02   2.516300    
 O    3.013300      0.4167000      -3.230700    
 O  -0.9392000      -3.013900      0.5962000    
 O   -2.937400      -4.231300      8.0600001E-02
 O   6.8000004E-02   3.685900      0.8496000    
 O   -6.412700     -0.1455000      0.4841000    
 O   -4.650000       2.326600      -1.499500    
 O   -5.199000       2.328100      0.6260000    
 O   -6.026700     -7.2800003E-02  -1.754700    
 N   -4.428500       2.015000     -0.3085000    
 C    6.342000     -0.2902000      0.3023000    
 C    5.958400     -0.6161000      -1.141300    
 C    5.152000     -0.4700000       1.245100    
 C    4.673500      0.1138000      -1.539700    
 C    3.903300      0.2255000      0.7031000    
 C    4.206600     -0.2861000      -2.935800    
 C    1.595400      0.4235000       1.244200    
 C  -0.7729000      7.0500001E-02  0.6354000    
 C   -1.929000     -0.7546000      0.3383000    
 C  -0.9097000       1.483900      0.5994000    
 C   0.5160000     -0.4216000      0.9672000    
 C   -3.164700     -0.1219000      1.9300001E-02
 C    1.428500       1.797200       1.200500    
 C   -1.977100      -2.165500      0.3270000    
 C   0.1823000       2.323300      0.8799000    
 C   -3.248300       1.271200     -3.1999999E-03
 C   -2.140500       2.060800      0.2820000    
 C   -4.323300     -0.8763000     -0.2793000    
 C   -3.121400      -2.883100      3.2099999E-02
 C   -4.309100      -2.267200     -0.2751000    
 C   -1.549400      -4.305500      0.4387000    
 C   -5.639800     -0.3344000     -0.6165000    
 C   0.3309000       4.325300     -0.3952000    
 H    6.752500      0.7235000      0.3782000    
 H    5.832800      -1.700000      -1.253500    
 H    4.954300      -1.535000       1.415400    
 H    4.819100       1.202700      -1.530200    
 H    4.054500       1.313000      0.7137000    
 H    3.982000      -1.357100      -2.979900    
 H    4.955200     -4.1700002E-02  -3.695400    
 H    7.054100      -2.085300      0.6499000    
 H    7.125400      0.7443000      -1.929000    
 H    5.643400       1.046100       2.387100    
 H   0.7138000      -1.487300       1.018000    
 H    2.251500       2.467900       1.431200    
 H   -2.253500       3.144400      0.2615000    
 H    2.731500      0.1435000      -4.120200    
 H   -5.192800      -2.854900     -0.5027000    
 H   -1.456800      -4.855800       1.382000    
 H   -1.012000      -4.855600     -0.3422000    
 H   0.1000000       5.388900     -0.2896000    
 H  -0.2914000       3.911500      -1.194900    
 H    1.388800       4.223200     -0.6574000    
 H   -7.293900      0.2188000      0.2539000    


%chk=000128576-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128576

0 1
O 4.064942 0.237345 -1.323159
O 2.517495 -0.985109 -0.024956
O 7.341860 -1.464395 0.580050
O 7.703873 0.929188 -0.991758
O 4.723557 -1.855961 1.765721
O 4.400399 2.820750 -2.699395
O -1.381221 -3.122694 1.213948
O -3.466161 -4.188044 1.686579
O -0.060852 3.063523 -1.201259
O -7.271726 -0.881535 0.732741
O -4.731207 3.259603 -0.370426
O -5.516349 1.873960 1.256194
O -6.321869 0.353344 -0.984445
N -4.682936 2.164783 0.307804
C 6.237722 -0.532065 0.356667
C 6.483543 0.122906 -1.012196
C 4.876628 -1.259299 0.429345
C 5.301162 1.059283 -1.331431
C 3.762394 -0.277577 0.022799
C 5.394570 1.730327 -2.690976
C 1.323429 -0.225633 -0.134254
C -1.098917 -0.237052 0.163844
C -2.366171 -0.883133 0.518371
C -1.141905 1.121458 -0.315176
C 0.157187 -0.897568 0.258392
C -3.640547 -0.188457 0.372540
C 1.314131 1.102134 -0.637565
C -2.449928 -2.217437 0.987589
C 0.080211 1.765723 -0.718207
C -3.558971 1.230151 0.060238
C -2.374352 1.841548 -0.315774
C -4.877904 -0.907132 0.539709
C -3.668709 -2.851287 1.265318
C -4.896477 -2.237168 1.021362
C -2.001415 -4.317885 1.856182
C -6.172859 -0.374354 0.025674
C 1.159403 3.789177 -1.589591
H 6.255657 0.268346 1.134585
H 6.551238 -0.679826 -1.777209
H 4.858347 -2.117327 -0.263191
H 5.237060 1.849397 -0.550788
H 3.691340 0.588656 0.729221
H 5.177090 0.988579 -3.486146
H 6.422735 2.123303 -2.812236
H 7.119180 -2.014097 1.376330
H 8.430507 0.358395 -0.629895
H 4.370729 -1.180575 2.400497
H 0.237422 -1.920398 0.623662
H 2.232591 1.549633 -1.022044
H -2.374336 2.905473 -0.562345
H 4.494934 3.335506 -3.539098
H -5.842407 -2.762322 1.160018
H -1.752166 -4.308748 2.933564
H -1.651777 -5.221881 1.335517
H 0.802712 4.766674 -1.943911
H 1.705107 3.261446 -2.392415
H 1.831573 3.919635 -0.721034
H -8.101167 -0.515985 0.322518


