%chk=000052639.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052639

0 1
 O   -4.059400      -2.483900     -8.3700001E-02
 N    2.026800     -0.4322000     -0.2380000    
 N    6.508600       2.275000      -1.023800    
 N    8.000400      0.9118000      9.9999997E-05
 N   -4.328000       2.423600       1.310500    
 N   -6.036700       3.222300      5.5799998E-02
 C    3.383200     -0.4477000     -2.4000001E-03
 C    3.663500      -1.616900      0.7082000    
 C    1.441600      -1.547900      0.2977000    
 C    5.688200      0.1912000      2.0099999E-02
 C    4.373200      0.4742000     -0.3604000    
 C    2.429000      -2.301000      0.8903000    
 C    6.749000       1.123400     -0.3305000    
 C    4.996400      -1.880900       1.080800    
 C    5.997100     -0.9676000      0.7297000    
 C   2.2600001E-02  -1.789700      0.1990000    
 C    7.724200       3.005000      -1.224800    
 C    8.742300       2.085200     -0.5453000    
 C   -4.355900       3.792000       1.731600    
 C   -5.293400       2.188900      0.3731000    
 C  -0.6334000      -2.506400       1.199400    
 C  -0.6924000      -1.306200     -0.8966000    
 C   -5.516700       4.339100      0.8966000    
 C   -5.486000      0.8816000     -0.2345000    
 C   -2.720800      -2.256600      8.7000001E-03
 C   -2.005200      -2.740000       1.104200    
 C   -2.064300      -1.539800     -0.9918000    
 C   -4.669800     -0.1870000      0.1365000    
 C   -4.868800      -1.422600     -0.4525000    
 C   -6.487200      0.6964000      -1.188000    
 C   -5.856100      -1.625900      -1.399600    
 C   -6.672200     -0.5573000      -1.770500    
 H    1.544800      0.3111000     -0.7248000    
 H    4.090900       1.362800     -0.9120000    
 H    2.293800      -3.246400       1.399200    
 H    5.250800      -2.780400       1.634100    
 H    7.017500      -1.194700       1.029400    
 H    7.684600       3.986200     -0.7428000    
 H    7.943900       3.132800      -2.288700    
 H    9.496700       1.739300      -1.259900    
 H    9.257000       2.603900      0.2704000    
 H    5.618300       2.614400      -1.363700    
 H   -3.416600       4.301000       1.496300    
 H   -4.555300       3.877500       2.803700    
 H  -0.1024000      -2.887800       2.068000    
 H  -0.2085000     -0.7601000      -1.702400    
 H   -6.319400       4.715300       1.539700    
 H   -5.183800       5.158700      0.2512000    
 H   -3.655200       1.764500       1.679700    
 H   -2.511900      -3.297100       1.887500    
 H   -2.591300      -1.174000      -1.869200    
 H   -3.905200     -7.1400002E-02  0.8968000    
 H   -7.138300       1.509600      -1.497000    
 H   -6.001100      -2.601300      -1.854000    
 H   -7.451600     -0.7019000      -2.513000    


%chk=000052639-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052639

0 1
O -3.986786 -2.343608 -0.115169
N 2.306181 -0.324272 -0.258027
N 7.059462 2.066065 -1.225349
N 8.373979 0.899401 0.274290
N -4.993787 2.616285 1.432437
N -6.605030 3.260441 -0.089660
C 3.683652 -0.415730 -0.033458
C 3.922898 -1.673273 0.630291
C 1.661111 -1.474667 0.243085
C 6.041025 0.121695 0.006809
C 4.718839 0.486706 -0.347642
C 2.644011 -2.316574 0.790819
C 7.185556 1.007248 -0.299162
C 5.259898 -2.014145 0.980201
C 6.296345 -1.122419 0.671628
C 0.208790 -1.657623 0.139572
C 8.397420 2.669946 -1.446886
C 9.225358 1.999035 -0.287775
C -5.287157 4.006427 1.862420
C -5.862360 2.271519 0.380535
C -0.452330 -2.644082 0.927063
C -0.587528 -0.874833 -0.744690
C -6.244049 4.481678 0.705217
C -5.900177 0.894325 -0.167322
C -2.608375 -2.032784 -0.032204
C -1.841590 -2.836280 0.842746
C -1.982287 -1.051393 -0.835225
C -4.865141 -0.034323 0.111178
C -4.944416 -1.340060 -0.422135
C -6.998474 0.503370 -0.978057
C -6.039248 -1.742724 -1.214272
C -7.064560 -0.808516 -1.488561
H 1.829305 0.487924 -0.642351
H 4.506319 1.455877 -0.812883
H 2.466931 -3.298369 1.226377
H 5.477213 -2.960455 1.486969
H 7.335073 -1.345709 0.932698
H 8.367164 3.770360 -1.361328
H 8.797577 2.405346 -2.447071
H 10.189590 1.589033 -0.636438
H 9.443638 2.724967 0.518619
H 6.367671 2.039753 -1.974473
H -4.368255 4.614785 1.928037
H -5.791483 4.022850 2.849840
H 0.129609 -3.253030 1.626250
H -0.118763 -0.139902 -1.410085
H -7.159864 4.967940 1.083969
H -5.736688 5.201393 0.035219
H -4.618946 1.926775 2.083022
H -2.349166 -3.593793 1.446978
H -2.570368 -0.450238 -1.535268
H -3.995938 0.253912 0.711022
H -7.776870 1.242725 -1.187070
H -6.071380 -2.766097 -1.599122
H -7.916094 -1.110779 -2.107208


