%chk=000062156.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062156

0 1
 O  -0.8036000       2.700900      0.7448000    
 O   -2.169800       1.521900       2.187300    
 O   -3.070100       2.382600      -1.169100    
 N    1.541600     -0.2758000      3.9900001E-02
 N   -2.642100      0.2359000     -0.2616000    
 C   -1.293800      0.4755000      0.1979000    
 C  -0.7288000     -0.7645000      0.8975000    
 C  -0.3907000      0.9026000     -0.9632000    
 C   0.7576000     -0.6136000       1.234800    
 C    1.082200      0.9871000     -0.5520000    
 C    2.965100     -0.1987000      0.3675000    
 C   -1.490700       1.603600       1.172700    
 C   -3.227800      -1.084700     -4.4300001E-02
 C    3.826600     -0.4676000     -0.8669000    
 C   -3.428400       1.229300     -0.9178000    
 C   -4.844600      0.7931000      -1.282800    
 C    5.297300     -0.4131000     -0.5379000    
 C   -3.078300      -2.081200      -1.009000    
 C   -3.936000      -1.349700       1.128000    
 C   -5.632900       1.883300      -1.992400    
 C  -0.9047000       3.855500       1.584300    
 C   -3.637000      -3.342300     -0.8016000    
 C   -4.494700      -2.610900       1.335400    
 C    5.989300      0.7942000     -0.6345000    
 C    5.965700      -1.569900     -0.1367000    
 C   -4.345100      -3.607200      0.3705000    
 C    7.349700      0.8447000     -0.3300000    
 C    7.326000      -1.519200      0.1679000    
 C    8.017900     -0.3118000      7.1199998E-02
 H   -1.255700     -0.9868000       1.833800    
 H  -0.7947000      -1.654300      0.2600000    
 H  -0.4765000      0.1552000      -1.766100    
 H  -0.6841000       1.848300      -1.433300    
 H   0.8892000      0.1466000       2.016100    
 H    1.103900      -1.567800       1.651700    
 H    1.650900       1.203000      -1.463700    
 H    1.270800       1.824100      0.1287000    
 H    3.223200      0.7608000      0.8358000    
 H    3.218000     -0.9692000       1.109400    
 H    3.621800      0.2561000      -1.664700    
 H    3.585500      -1.451700      -1.290500    
 H   -5.386200      0.5222000     -0.3711000    
 H   -4.799000     -7.4199997E-02  -1.948500    
 H   -2.528500      -1.884700      -1.925700    
 H   -4.061800     -0.5812000       1.885800    
 H   -5.732400       2.772100      -1.360400    
 H   -5.138700       2.184500      -2.922000    
 H   -6.637700       1.526800      -2.239700    
 H  -0.3136000       4.656400       1.132500    
 H  -0.5007000       3.637600       2.577500    
 H   -1.946400       4.183000       1.652900    
 H   -3.520600      -4.118000      -1.552800    
 H   -5.046600      -2.817000       2.247800    
 H    5.479100       1.702500     -0.9437000    
 H    5.437100      -2.516100     -5.5799998E-02
 H   -4.780200      -4.589000      0.5320000    
 H    7.888300       1.784800     -0.4046000    
 H    7.846500      -2.419700      0.4808000    
 H    9.077000     -0.2724000      0.3086000    


%chk=000062156-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000062156

0 1
O -0.738769 2.783235 1.015599
O -2.476114 1.667435 2.075665
O -3.115469 2.347972 -0.901414
N 1.564072 -0.125407 0.081259
N -2.716542 0.136064 -0.332905
C -1.350123 0.547132 0.178504
C -0.696664 -0.609381 0.991407
C -0.435022 0.891789 -1.031096
C 0.776215 -0.304991 1.325026
C 1.058733 1.046948 -0.681459
C 3.022261 -0.063858 0.338075
C -1.614679 1.719462 1.165144
C -3.243418 -1.192823 -0.085490
C 3.866055 -0.341803 -0.936521
C -3.527793 1.144861 -0.865335
C -4.913143 0.741046 -1.377998
C 5.351741 -0.417979 -0.619488
C -3.096592 -2.212767 -1.055436
C -3.917458 -1.460710 1.131143
C -5.619729 1.895038 -2.111602
C -1.009022 3.951279 1.889120
C -3.626108 -3.500239 -0.810201
C -4.445285 -2.748605 1.372448
C 6.174718 0.735965 -0.688727
C 5.940477 -1.640699 -0.203109
C -4.301881 -3.769773 0.403015
C 7.546443 0.672226 -0.353234
C 7.311018 -1.710751 0.133088
C 8.119961 -0.552553 0.060019
H -1.266761 -0.793488 1.919130
H -0.721367 -1.530281 0.382161
H -0.538230 0.054195 -1.747220
H -0.801837 1.811697 -1.514358
H 0.844935 0.588881 1.997850
H 1.194177 -1.163833 1.882066
H 1.622917 1.127836 -1.627883
H 1.214944 1.991973 -0.110517
H 3.333190 0.919882 0.775145
H 3.268621 -0.838933 1.089078
H 3.683731 0.452459 -1.684181
H 3.505159 -1.292240 -1.371246
H -5.520339 0.407393 -0.512760
H -4.823227 -0.146352 -2.032761
H -2.571004 -1.991537 -1.991030
H -4.008076 -0.655537 1.869250
H -5.713936 2.776571 -1.455993
H -5.047151 2.210179 -3.000893
H -6.628617 1.581376 -2.435043
H -0.205257 4.664862 1.659553
H -0.992414 3.652786 2.950722
H -1.997595 4.370815 1.640130
H -3.511278 -4.288832 -1.562091
H -4.966184 -2.954891 2.314038
H 5.738024 1.688506 -1.015033
H 5.319884 -2.544447 -0.151101
H -4.712319 -4.767957 0.591940
H 8.167135 1.573450 -0.417351
H 7.748888 -2.665634 0.446257
H 9.183902 -0.605114 0.317344


