%chk=000047824.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047824

0 1
 O   -10.96220       1.761300     -0.5800000    
 O   -10.57050     -0.4652000     -0.7808000    
 N    2.498900     -0.3955000       1.345300    
 N    5.674100      0.9538000      -1.035100    
 C   -5.315000     -0.9992000     -8.4100001E-02
 C   -3.874300     -0.6043000      0.2568000    
 C   -6.289200      0.1835000     -7.6499999E-02
 C   -2.892600      -1.778700      0.1566000    
 C   -7.764300     -0.1532000     -0.3298000    
 C   -1.464200      -1.412200      0.4715000    
 C   -8.725700       1.033300     -0.2508000    
 C    3.565800      5.7799999E-02  0.5456000    
 C    1.162900     -0.7387000       1.050600    
 C   -1.009600      -1.505300       1.778300    
 C  -0.6289000     -0.9886000     -0.5508000    
 C    4.439600     -0.8641000     -5.5300001E-02
 C    3.762000       1.434400      0.3441000    
 C   0.3119000      -1.166500       2.069500    
 C   0.6925000     -0.6498000     -0.2596000    
 C    5.490000     -0.3670000     -0.8450000    
 C    4.839100       1.841600     -0.4613000    
 C    4.275700      -2.248800      0.1226000    
 C    2.909200       2.387200      0.9282000    
 C   -10.16050      0.6646000     -0.5541000    
 C    6.353500      -1.284000      -1.438400    
 C    5.029900       3.206700     -0.6582000    
 C    5.152600      -3.144600     -0.4817000    
 C    3.121600       3.746100      0.7156000    
 C    6.193600      -2.660900      -1.263700    
 C    4.184200       4.156300     -7.9300001E-02
 H   -5.658800      -1.753600      0.6340000    
 H   -5.339400      -1.470200      -1.074400    
 H   -3.844300     -0.1844000       1.270200    
 H   -3.551000      0.1963000     -0.4207000    
 H   -6.215000      0.6877000      0.8956000    
 H   -5.963200      0.9141000     -0.8276000    
 H   -2.938500      -2.210200     -0.8522000    
 H   -3.215300      -2.583900      0.8299000    
 H   -7.851500     -0.6223000      -1.318300    
 H   -8.081500     -0.9147000      0.3943000    
 H   -8.692700       1.465900      0.7552000    
 H   -8.414000       1.796400     -0.9729000    
 H   -1.665400      -1.835400       2.578900    
 H  -0.9866000     -0.9140000      -1.573800    
 H    2.751500     -0.4923000       2.324600    
 H   0.6652000      -1.239700       3.094800    
 H    1.333900     -0.3190000      -1.072000    
 H    3.475400      -2.661200      0.7316000    
 H    2.071600       2.101400       1.559100    
 H    7.177000     -0.9297000      -2.055900    
 H    5.855600       3.553400      -1.277000    
 H    5.024700      -4.213600     -0.3419000    
 H    2.462300       4.480000       1.168600    
 H    6.883800      -3.351300      -1.739600    
 H    4.359100       5.214300     -0.2514000    
 H   -11.89170       1.529500     -0.7908000    


%chk=000047824-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047824

0 1
O -11.158873 1.157494 -0.978816
O -10.668046 -1.109754 -0.896964
N 2.416057 0.262176 1.435864
N 5.849512 0.815202 -1.109046
C -5.382080 -1.194510 0.029407
C -3.947043 -0.677958 0.272731
C -6.411263 -0.058600 -0.164960
C -2.917235 -1.826837 0.462949
C -7.844772 -0.582928 -0.400317
C -1.504355 -1.320591 0.708290
C -8.857597 0.561407 -0.592358
C 3.512873 0.420447 0.562993
C 1.133330 -0.288245 1.161341
C -1.011952 -1.118166 2.022974
C -0.645280 -0.987842 -0.371442
C 4.014505 -0.650535 -0.250761
C 4.202274 1.680923 0.548627
C 0.285768 -0.617942 2.253200
C 0.649174 -0.472916 -0.161641
C 5.173974 -0.378581 -1.097399
C 5.389519 1.811763 -0.288418
C 3.483384 -1.987619 -0.228719
C 3.764717 2.827508 1.299913
C -10.273371 0.074529 -0.829871
C 5.679186 -1.428161 -1.944376
C 6.113956 3.055705 -0.279350
C 4.015550 -2.983635 -1.043868
C 4.486871 4.019538 1.278478
C 5.111982 -2.697861 -1.926969
C 5.683101 4.130588 0.491974
H -5.693688 -1.829720 0.884942
H -5.389184 -1.853318 -0.864078
H -3.930851 -0.025257 1.169091
H -3.628322 -0.043411 -0.579095
H -6.398623 0.602151 0.727207
H -6.100416 0.572569 -1.023874
H -2.938870 -2.470507 -0.439012
H -3.246032 -2.458800 1.311759
H -7.863262 -1.242847 -1.288727
H -8.159633 -1.213045 0.453615
H -8.873745 1.233389 0.288302
H -8.574173 1.204558 -1.449103
H -1.648370 -1.368829 2.880737
H -0.998411 -1.129182 -1.400640
H 2.483476 0.770802 2.319745
H 0.652264 -0.494670 3.280142
H 1.280465 -0.210608 -1.015922
H 2.655288 -2.226459 0.443288
H 2.829250 2.783776 1.869963
H 6.534284 -1.180120 -2.580581
H 7.007704 3.111860 -0.908299
H 3.600478 -3.996742 -1.006701
H 4.132788 4.884368 1.850158
H 5.509533 -3.489738 -2.571379
H 6.243083 5.072177 0.489291
H -12.077601 0.806504 -1.135800


