%chk=000100036.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100036

0 1
 O   -3.914100     -0.4755000      0.9640000    
 O  -0.6698000       2.099500      0.6361000    
 O    1.851500       2.298000      0.5520000    
 O    2.408100      -2.881900     -0.6376000    
 O   -4.736200      -2.574700      0.9852000    
 O    4.384600       2.676500      0.4749000    
 O   -5.569600       1.672900      0.3468000    
 N   -5.452800       2.106800      -1.908500    
 C   -1.615700     -4.0700000E-02  0.2425000    
 C   -3.002300      0.5100000      0.4141000    
 C   -1.470600      -1.395900     -6.0500000E-02
 C   0.7930000      0.2380000      0.1583000    
 C  -0.4842000      0.7768000      0.3513000    
 C   0.9382000      -1.114600     -0.1523000    
 C   -2.701600      -2.235500     -0.2204000    
 C  -0.1938000      -1.930300     -0.2685000    
 C   -3.580600       1.050800     -0.8893000    
 C    1.978800       1.110800      0.2788000    
 C    2.280000      -1.694400     -0.3662000    
 C   -3.860600      -1.788800      0.6310000    
 C    3.320600      0.5315000      6.4700000E-02
 C    3.465900     -0.8219000     -0.2466000    
 C   -4.956100       1.626800     -0.7155000    
 C    4.452400       1.348000      0.1753000    
 C    4.743100      -1.359000     -0.4475000    
 C    5.723400      0.8088000     -2.5699999E-02
 C    5.868400     -0.5418000     -0.3365000    
 H   -2.982700       1.306100       1.168100    
 H   -3.018800      -2.228300      -1.268600    
 H   -2.469200      -3.266900      7.0900001E-02
 H  -9.5899999E-02  -2.983300     -0.5217000    
 H   -3.655000      0.2498000      -1.636200    
 H   -2.927000       1.828200      -1.304000    
 H    4.882900      -2.408900     -0.6908000    
 H   0.1532000       2.598100      0.5285000    
 H    6.613100       1.428000      5.5799998E-02
 H    6.858900     -0.9594000     -0.4925000    
 H   -4.927900       2.059200      -2.776100    
 H   -6.374200       2.529000      -1.956800    
 H    5.281200       3.051900      0.5019000    


%chk=000100036-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100036

0 1
O -3.961935 -0.387463 0.815533
O -0.647391 2.171488 0.453952
O 1.840240 2.412865 0.456922
O 2.472590 -2.971250 -0.602128
O -4.833732 -2.496879 0.788714
O 4.481883 2.699910 0.504386
O -4.924635 2.893122 0.117996
N -5.979137 1.573527 -1.475000
C -1.610467 0.010552 0.081111
C -2.986200 0.609299 0.264982
C -1.458519 -1.361038 -0.207918
C 0.855610 0.274296 0.067614
C -0.457606 0.837460 0.205808
C 0.979644 -1.121065 -0.204923
C -2.707830 -2.199065 -0.385277
C -0.166645 -1.926376 -0.340311
C -3.565879 1.214695 -1.035513
C 2.029845 1.151911 0.217338
C 2.329809 -1.732564 -0.348634
C -3.913409 -1.734525 0.439865
C 3.382414 0.565387 0.091763
C 3.524352 -0.836908 -0.183558
C -4.876328 1.965006 -0.738339
C 4.578260 1.340351 0.236067
C 4.797458 -1.432761 -0.309829
C 5.852446 0.726018 0.107115
C 5.960996 -0.649719 -0.163821
H -2.968508 1.408036 1.024911
H -3.022399 -2.187290 -1.450262
H -2.531660 -3.258181 -0.135402
H -0.031537 -2.992480 -0.548799
H -3.683745 0.438669 -1.814751
H -2.838203 1.962914 -1.400761
H 4.846390 -2.504608 -0.520502
H 0.308009 2.595538 0.522660
H 6.757873 1.336323 0.221500
H 6.950711 -1.107070 -0.259917
H -5.957710 0.776212 -2.107420
H -6.870742 2.034240 -1.290865
H 5.384283 3.105127 0.584095


