%chk=000088132.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088132

0 1
 O  -0.1689000      -1.891700       1.276100    
 O   -3.567100      -2.626400      0.6346000    
 O   -4.406100      -1.190100       2.165400    
 O    2.716200       2.051800       1.578400    
 O    5.185300      0.7818000       1.712500    
 N   -1.701700     -0.9962000     -0.2082000    
 N  -0.8057000      -2.592500      -2.100600    
 C   0.2159000      -2.247800      -1.096800    
 C    1.166400      -1.194200      -1.721300    
 C  -0.5504000      -1.697300      0.1219000    
 C   0.9594000      -3.541500     -0.7273000    
 C   -2.583900     -0.4140000      0.7769000    
 C    2.241600     -0.6616000     -0.7998000    
 C   -3.302100      0.8200000      0.2153000    
 C   -2.349500       1.892000     -0.2566000    
 C    1.978700      0.4588000     -3.0700000E-02
 C    3.465200      -1.306400     -0.7457000    
 C   -3.604200      -1.430100       1.268800    
 C    2.970000      0.9496000      0.8192000    
 C    4.456600     -0.8155000      0.1040000    
 C   -1.932200       2.869600      0.6327000    
 C   -1.909900       1.879400      -1.571000    
 C    4.209100      0.3123000      0.8865000    
 C   -1.052200       3.860000      0.1963000    
 C   -1.029800       2.869800      -2.007200    
 C  -0.6009000       3.860200      -1.123600    
 H    1.646700      -1.607800      -2.619700    
 H   0.5801000     -0.3379000      -2.085700    
 H    1.679300      -3.380800      8.2099997E-02
 H    1.500400      -3.954600      -1.586300    
 H   0.2630000      -4.310000     -0.3693000    
 H   -1.973300     -0.1378000       1.645800    
 H   -1.989100     -0.9725000      -1.182200    
 H   -3.976300       1.241700      0.9729000    
 H   -3.958400      0.5286000     -0.6169000    
 H   -1.403000      -3.339100      -1.746100    
 H  -0.3555000      -2.966800      -2.935400    
 H    1.013000      0.9530000     -8.4700003E-02
 H    3.669500      -2.183400      -1.352800    
 H    5.419900      -1.316100      0.1514000    
 H   -2.275800       2.875900       1.663100    
 H   -2.240800       1.117800      -2.271000    
 H  -0.7169000       4.630200      0.8848000    
 H  -0.6785000       2.869800      -3.034900    
 H   8.5100003E-02   4.630700      -1.462800    
 H   -4.242900      -3.246900      0.9818000    
 H    1.810400       2.357900       1.399800    
 H    4.842400       1.565100       2.176800    


%chk=000088132-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088132

0 1
O -0.224368 -1.443036 1.312249
O -3.891827 -2.687468 0.414303
O -5.055583 -0.885732 1.293620
O 2.524283 2.436916 0.724702
O 5.053154 1.512015 0.901623
N -1.805627 -1.223535 -0.392316
N -0.821499 -3.228803 -1.784700
C 0.175662 -2.596293 -0.863590
C 1.083549 -1.692208 -1.780640
C -0.621288 -1.707085 0.137844
C 1.021385 -3.616059 -0.069851
C -2.767388 -0.506497 0.428941
C 2.136847 -0.855828 -1.076216
C -3.207778 0.866648 -0.168115
C -2.121846 1.931193 -0.134955
C 1.789545 0.404649 -0.523865
C 3.478298 -1.299790 -0.965644
C -4.018903 -1.336662 0.759183
C 2.758756 1.176602 0.134786
C 4.457401 -0.519722 -0.306984
C -1.639457 2.430047 1.103432
C -1.605135 2.486625 -1.333679
C 4.099926 0.721662 0.248370
C -0.679141 3.465652 1.144239
C -0.644069 3.522749 -1.301663
C -0.178627 4.020936 -0.061262
H 1.581636 -2.380208 -2.494845
H 0.403549 -1.045415 -2.367855
H 1.698270 -3.096538 0.626812
H 1.620488 -4.234020 -0.764278
H 0.371992 -4.282342 0.527472
H -2.256810 -0.333965 1.401581
H -2.058886 -1.666527 -1.290441
H -4.084920 1.204264 0.415102
H -3.551080 0.706092 -1.207404
H -1.347300 -3.988974 -1.332403
H -0.395440 -3.553490 -2.661549
H 0.759133 0.772651 -0.600953
H 3.766764 -2.264645 -1.399000
H 5.494448 -0.856654 -0.219479
H -2.024900 2.017401 2.043754
H -1.967890 2.112826 -2.298761
H -0.338104 3.851706 2.111531
H -0.262069 3.943323 -2.238189
H 0.539433 4.848440 -0.035665
H -4.720250 -3.165388 0.693655
H 1.574943 2.717254 0.633125
H 4.599827 2.334236 1.228479


