%chk=000001404.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001404

0 1
 O    5.672700       3.293600      0.1796000    
 O    3.818700       4.359500     -0.5824000    
 O   -2.496600       2.965200      -1.605200    
 O   -6.222100       1.963500       1.639100    
 O   0.4993000      -2.241900      -1.981000    
 O   -4.210900       1.732100       2.664800    
 O   -4.755300      -3.215600     -0.2577000    
 O   -5.628700      -1.906000      -1.891600    
 N   -2.874100       1.748200      0.3321000    
 N    2.181700      -4.185200       1.092100    
 N   0.5329000      -4.087500     -0.6235000    
 N   0.6922000      -5.911300      0.8396000    
 C    3.640300       2.077100      0.2994000    
 C    4.298500      0.8700000     -0.4232000    
 C    2.138600       2.155800      6.1200000E-02
 C    3.746400     -0.4561000     -2.0600000E-02
 C   -4.315500       1.715800      0.2316000    
 C    2.663400     -0.9977000     -0.7128000    
 C    1.645300       2.302100      -1.235400    
 C    1.256200       2.082900       1.139000    
 C    4.341400       3.373700     -8.2599998E-02
 C    4.315900      -1.151900       1.046300    
 C   -4.825900      0.5169000     -0.5771000    
 C    2.154400      -2.241500     -0.3294000    
 C  -0.6127000       2.302600     -0.3762000    
 C    2.720300      -2.946300      0.7405000    
 C   0.2698000       2.375500      -1.454000    
 C  -0.1195000       2.156300      0.9203000    
 C    3.805100      -2.394000       1.426600    
 C   -2.047000       2.378800     -0.6046000    
 C   -4.503900     -0.8663000      3.0000000E-03
 C   0.9996000      -2.854200      -1.042600    
 C   -4.874700       1.787600       1.637600    
 C    1.112200      -4.686600      0.3846000    
 C   -5.018000      -2.015000     -0.8375000    
 H    3.804100       1.963000       1.380700    
 H    4.218300      0.9868000      -1.512800    
 H    5.380700      0.8663000     -0.2348000    
 H   -4.624800       2.638000     -0.2764000    
 H    2.233900     -0.4675000      -1.557200    
 H    2.316500       2.362900      -2.087800    
 H    1.625500       1.975000       2.155200    
 H    5.158500     -0.7357000       1.592400    
 H   -4.413000      0.5730000      -1.593000    
 H   -5.914800      0.5996000     -0.6901000    
 H  -9.4300002E-02   2.485000      -2.472300    
 H  -0.7690000       2.126500       1.790300    
 H    4.258600      -2.924200       2.260200    
 H   -2.460000       1.213300       1.088700    
 H   -4.951600     -0.9589000      0.9987000    
 H   -3.418400     -0.9849000      9.2900001E-02
 H    2.592200      -4.694000       1.865300    
 H    6.144700       4.115500     -7.3200002E-02
 H   -6.581300       2.026100       2.549800    
 H    1.146500      -6.369500       1.622000    
 H  -8.7499999E-02  -6.393000      0.4056000    
 H   -5.102700      -3.962400     -0.7905000    


%chk=000001404-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000001404

0 1
O 5.290815 3.872187 1.158359
O 4.948812 3.832860 -1.136441
O -2.614831 3.406315 0.147002
O -5.753974 1.727841 0.957060
O -0.542560 -0.686189 -1.420113
O -3.895852 1.059640 2.179016
O -3.840993 -4.024940 0.572432
O -5.483123 -3.129845 -0.788536
N -2.413133 1.134001 -0.314380
N 1.249249 -3.664679 0.748996
N -0.708800 -2.667707 -0.225116
N -0.928652 -4.586974 1.053582
C 3.977546 2.043991 0.280532
C 4.370366 0.935955 -0.777564
C 2.464963 2.315322 0.276723
C 3.629101 -0.363436 -0.516010
C -3.865436 0.948835 -0.318838
C 2.285874 -0.503424 -0.922825
C 1.837991 3.065595 -0.752134
C 1.652424 1.678527 1.246762
C 4.764849 3.312561 -0.012870
C 4.206579 -1.416077 0.249882
C -4.270659 -0.487589 -0.756344
C 1.500815 -1.599911 -0.507581
C -0.375791 2.406350 0.077278
C 2.088248 -2.622367 0.288720
C 0.429416 3.127563 -0.836763
C 0.246209 1.705120 1.138695
C 3.458878 -2.546821 0.638471
C -1.883404 2.379772 -0.037132
C -3.762079 -1.616469 0.170514
C 0.037376 -1.624723 -0.772977
C -4.442427 1.255696 1.072614
C -0.122288 -3.622813 0.506969
C -4.467097 -2.921159 -0.095707
H 4.270135 1.695627 1.286323
H 4.139003 1.334829 -1.780974
H 5.464767 0.781609 -0.727909
H -4.340753 1.669580 -1.010545
H 1.789914 0.265534 -1.522697
H 2.450448 3.583112 -1.499535
H 2.121718 1.120932 2.066133
H 5.255188 -1.339126 0.561936
H -3.882047 -0.652622 -1.778173
H -5.372322 -0.523300 -0.821820
H -0.048159 3.706830 -1.634180
H -0.374724 1.175245 1.869577
H 3.926817 -3.339856 1.233885
H -1.794489 0.377966 -0.666984
H -3.909884 -1.361854 1.239637
H -2.676314 -1.804784 0.047762
H 1.658071 -4.409640 1.316002
H 5.760300 4.722178 0.933792
H -6.117183 1.913002 1.864936
H -0.587343 -5.316100 1.675001
H -1.941960 -4.452080 0.909497
H -4.397495 -4.829091 0.379759


