%chk=000043896.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043896

2 1
 O    1.376400      -3.205000      0.7915000    
 O   -4.098900     -0.3517000     -0.4702000    
 N    3.590800      0.8158000      0.4016000    
 N   -1.175500       3.219300     -0.4245000    
 N    1.617500      -1.964900      -1.156800    
 N   -2.444700      4.3200001E-02   1.111500    
 C    2.373700      9.7099997E-02 -4.9500000E-02
 C   -1.248400       1.756700     -0.1863000    
 C    2.766900      -1.196200     -0.7389000    
 C   -2.293900       1.460300      0.8727000    
 C    3.220900       2.138400       1.087200    
 C    4.507500       1.135300     -0.7875000    
 C    4.386600     -3.3700000E-02   1.402400    
 C   -2.523400       3.758600     -0.9232000    
 C  -0.8122000       3.964800      0.8673000    
 C  -0.1107000       3.547900      -1.480200    
 C   -1.491900      -2.889600     -0.8343000    
 C   -1.892600      -2.838000      0.6456000    
 C  -0.1514000      -3.592000      -1.047600    
 C   -3.267200      -2.202300      0.8521000    
 C    1.014000      -2.914800     -0.3453000    
 C   -3.343400     -0.7494000      0.4124000    
 H    1.739300     -9.2799999E-02  0.8249000    
 H    1.823300      0.7495000     -0.7373000    
 H   -1.487600       1.261900      -1.135500    
 H  -0.2622000       1.409900      0.1391000    
 H    3.363000      -1.852600     -0.1009000    
 H    3.327300      -1.014700      -1.660100    
 H   -2.020500       1.877300       1.845800    
 H   -3.284800       1.835600      0.6068000    
 H    4.138700       2.632800       1.418600    
 H    2.576500       1.909800       1.941200    
 H    2.692300       2.761600      0.3615000    
 H    4.968600      0.2173000      -1.159800    
 H    5.295600       1.809300     -0.4363000    
 H    3.910300       1.625500      -1.561900    
 H    5.154900      0.6034000       1.852500    
 H    4.878400     -0.8605000      0.8849000    
 H    3.699200     -0.3948000       2.172900    
 H   -2.863800       3.128200      -1.749800    
 H   -3.247500       3.772300     -0.1054000    
 H   -2.369700       4.785100      -1.271700    
 H   7.7100001E-02   3.495600       1.298000    
 H  -0.6007000       5.007400      0.6092000    
 H   -1.654500       3.937600       1.562700    
 H  -8.0399998E-02   4.631600      -1.625900    
 H   0.8530000       3.181900      -1.117600    
 H  -0.3879000       3.042400      -2.409900    
 H    1.235100      -1.779300      -2.079400    
 H   -1.875300     -0.3695000       1.843900    
 H   -2.264000      -3.418000      -1.405900    
 H   -1.429800      -1.871500      -1.236600    
 H   -1.920600      -3.859200       1.045300    
 H   -1.135900      -2.296800       1.222500    
 H   5.8100000E-02  -3.659400      -2.121900    
 H  -0.2046000      -4.623900     -0.6798000    
 H   -4.030100      -2.766300      0.3028000    
 H   -3.537400      -2.247700       1.914000    


%chk=000043896-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043896

2 1
O 2.971177 -0.755132 0.482924
O -2.321479 1.759957 -0.629101
N 6.461258 -2.263011 0.301033
N -5.375635 4.051357 -0.462896
N 2.824122 -2.696432 -0.748992
N -3.667710 1.015368 1.086231
C 5.282002 -2.416241 -0.688708
C -4.709808 3.218037 0.657783
C 4.060717 -3.206636 -0.140121
C -4.837004 1.677928 0.491428
C 7.515323 -1.378647 -0.371470
C 7.078350 -3.622958 0.620400
C 6.001310 -1.575056 1.597061
C -4.788793 3.686296 -1.836303
C -6.888219 3.840296 -0.467409
C -5.075078 5.526415 -0.181838
C 0.594207 0.419194 -0.721987
C 0.106786 0.741085 0.714119
C 0.972189 -1.061664 -0.962868
C -1.317343 0.230734 1.052477
C 2.314396 -1.463996 -0.346746
C -2.440264 1.060232 0.429060
H 4.961257 -1.390686 -0.927087
H 5.694104 -2.889640 -1.596573
H -3.643398 3.489710 0.634857
H -5.152880 3.559300 1.609216
H 3.980856 -3.078955 0.954120
H 4.145976 -4.283181 -0.359837
H -5.747896 1.293766 0.978454
H -4.872809 1.409510 -0.579508
H 8.407664 -1.331276 0.271103
H 7.099490 -0.368632 -0.506230
H 7.782331 -1.808928 -1.348834
H 6.308839 -4.282399 1.047614
H 7.889479 -3.484652 1.351692
H 7.481583 -4.064583 -0.304096
H 6.883380 -1.140772 2.091266
H 5.540738 -2.316763 2.264880
H 5.258085 -0.802047 1.346891
H -3.711146 3.489654 -1.724244
H -5.283205 2.783268 -2.221316
H -4.974608 4.522861 -2.526606
H -7.306178 4.188378 0.489914
H -7.327335 4.415846 -1.296648
H -7.108048 2.771791 -0.607141
H -5.609694 6.148429 -0.915704
H -5.410908 5.779333 0.835449
H -3.990864 5.692043 -0.272207
H 2.309813 -3.277704 -1.413099
H -3.779025 0.460900 1.936720
H -0.188471 0.715278 -1.442082
H 1.480434 1.044604 -0.935355
H 0.822092 0.316158 1.440753
H 0.131990 1.837651 0.854219
H 1.009525 -1.264885 -2.051889
H 0.190014 -1.737941 -0.558849
H -1.442992 -0.816479 0.705790
H -1.455193 0.202717 2.151189


