%chk=000178420.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178420

0 1
 O    2.408500      0.1921000      0.7440000    
 O    3.563300      0.4730000      -2.450200    
 O    5.050800       1.460000      0.7277000    
 O    4.872300      -1.788500     -0.8556000    
 O   -1.895800       1.295700      0.2542000    
 O    3.623300      -1.232900       2.796400    
 O    2.405000      -2.892700       1.798600    
 N    1.673600       2.298900     -0.2405000    
 C    2.269300      0.9478000     -0.4617000    
 C    3.620900       1.133800      -1.183900    
 C    4.804600      0.5888000     -0.3766000    
 C   0.3251000       2.179100      0.4753000    
 C    4.541200     -0.8293000      0.1501000    
 C    3.071900      -1.044700      0.5204000    
 C    1.450900       3.011400      -1.577900    
 C    2.604000       3.160200      0.6187000    
 C  -0.6307000       1.379900     -0.3885000    
 C    3.030200      -1.795800       1.834800    
 C   -2.826400      0.5529000     -0.5217000    
 C   -2.314600     -0.8558000     -0.7402000    
 C   -4.217200      0.5884000      8.1699997E-02
 C   -2.667000      -1.529600      -1.896000    
 C   -5.315200      0.5003000     -0.7540000    
 C   -1.506000      -1.436200      0.2209000    
 C   -4.352800      0.7074000       1.452400    
 C   -2.195500      -2.826700      -2.097300    
 C   -6.594500      0.5327000     -0.1992000    
 C   -1.034600      -2.733400      1.9400001E-02
 C   -5.632300      0.7397000       2.007200    
 C   -1.379300      -3.428600      -1.139800    
 C   -6.753000      0.6522000       1.181300    
 H    1.605000      0.3959000      -1.131900    
 H    3.865600       2.161600      -1.447200    
 H    5.701300      0.5856000      -1.008400    
 H  -6.0899999E-02   3.189000      0.6604000    
 H   0.4863000       1.701900       1.449000    
 H    5.223200      -1.034700      0.9817000    
 H    2.527800      -1.618600     -0.2415000    
 H   0.7246000       3.816700      -1.425500    
 H    2.383800       3.462900      -1.925000    
 H    1.088000       2.296900      -2.322400    
 H    2.823900       2.623400       1.545500    
 H    3.512700       3.428100      7.8500003E-02
 H    2.068600       4.085500      0.8583000    
 H  -0.2237000      0.3970000     -0.5918000    
 H  -0.7963000       1.880200      -1.347800    
 H    3.087400     -0.3672000      -2.349100    
 H    5.839500       1.130800       1.191300    
 H    4.353900      -1.598800      -1.653300    
 H   -2.887300       1.061700      -1.495400    
 H   -3.296600      -1.070100      -2.651800    
 H   -5.205400      0.4118000      -1.830600    
 H   -1.246800     -0.9328000       1.147800    
 H   -3.493900      0.7669000       2.113900    
 H   -2.462900      -3.367800      -3.000300    
 H   -7.467300      0.4657000     -0.8421000    
 H  -0.4060000      -3.205500      0.7685000    
 H   -5.756100      0.8305000       3.082400    
 H   -1.013400      -4.439200      -1.295800    
 H   -7.749200      0.6770000       1.613400    


%chk=000178420-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178420

0 1
O 1.991563 -0.123503 -0.674946
O 4.014604 0.925089 -2.877815
O 5.155330 1.324146 0.650564
O 4.448676 -1.478950 -1.666662
O -1.927411 1.222302 -0.145636
O 3.805461 -0.020839 2.340133
O 1.531861 -0.505156 2.169325
N 1.688942 2.337215 -0.224463
C 2.362724 1.160258 -1.142018
C 3.870829 1.362221 -1.483938
C 4.875123 0.598162 -0.566780
C 0.299069 1.859270 0.243530
C 4.361404 -0.845432 -0.317987
C 2.922458 -0.897447 0.220220
C 1.572296 3.571755 -1.105433
C 2.482559 2.719781 1.026714
C -0.650954 1.375118 -0.862044
C 2.732150 -0.447609 1.718975
C -2.829164 0.188778 -0.735693
C -2.259541 -1.222916 -0.573910
C -4.185174 0.409851 -0.070296
C -2.653182 -2.237736 -1.482379
C -5.118105 1.288387 -0.675488
C -1.364532 -1.547284 0.475478
C -4.520672 -0.211429 1.157328
C -2.173516 -3.558122 -1.336821
C -6.366006 1.545945 -0.066540
C -0.872896 -2.864571 0.614571
C -5.765728 0.048214 1.771518
C -1.280609 -3.876029 -0.285116
C -6.692200 0.925930 1.162045
H 1.810891 1.295183 -2.088827
H 4.142005 2.431317 -1.469715
H 5.810614 0.517455 -1.152395
H -0.158760 2.711268 0.777953
H 0.474491 1.033301 0.953907
H 5.029433 -1.367484 0.391585
H 2.503043 -1.916784 0.131102
H 0.954967 4.318895 -0.582220
H 2.575540 3.985444 -1.285985
H 1.103779 3.313122 -2.066206
H 2.364445 1.937906 1.788806
H 3.553842 2.809501 0.784001
H 2.070176 3.669432 1.406255
H -0.304556 0.406668 -1.266782
H -0.780882 2.107162 -1.688485
H 4.165991 -0.067717 -2.836992
H 4.750763 0.792194 1.456633
H 4.014076 -2.367708 -1.657526
H -2.937219 0.407590 -1.822168
H -3.344133 -1.996694 -2.300689
H -4.862359 1.775559 -1.625122
H -1.029286 -0.776423 1.175516
H -3.812065 -0.901976 1.626105
H -2.490633 -4.334777 -2.042172
H -7.080316 2.224639 -0.546031
H -0.171951 -3.082945 1.427568
H -6.015160 -0.436592 2.721954
H -0.906081 -4.900037 -0.172781
H -7.660213 1.121603 1.637071


