%chk=000050524.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050524

0 1
 O    6.797100      0.8056000      0.3272000    
 O   -3.941600       3.967800      0.2246000    
 N    1.758700      -1.305100     -0.7205000    
 N   0.4377000      0.5999000     -0.4459000    
 N  -0.5051000      -1.573600     -0.1715000    
 C   0.5072000     -0.7919000     -0.3965000    
 C    3.037200     -0.7694000     -0.4546000    
 C  -0.6753000       1.455800     -0.2755000    
 C  -0.2656000      -3.022000     -0.1515000    
 C   -1.522300      -3.800300      4.6999998E-02
 C    3.222700      8.6499996E-02  0.6311000    
 C    4.115200      -1.096000      -1.277500    
 C   -1.634200       1.167800      0.6959000    
 C  -0.8141000       2.587700      -1.078700    
 C    5.564200      0.2891000      7.0900001E-02
 C    4.486300      0.6159000      0.8938000    
 C    5.378600     -0.5667000      -1.014800    
 C   -2.870500       3.144100      6.0699999E-02
 C   -2.731900       2.012000      0.8639000    
 C   -1.911700       3.431800     -0.9106000    
 C   -1.948000      -4.120400       1.336300    
 C   -2.272300      -4.207600      -1.056300    
 C   -3.123400      -4.848000       1.522200    
 C   -3.447800      -4.935200     -0.8703000    
 C   -3.873300      -5.255300      0.4190000    
 C    6.847100       2.089300      0.9481000    
 C   -5.153300       3.373000      0.6868000    
 C    8.114000       2.796700      0.5166000    
 C   -6.305200       4.178100      0.1839000    
 C   -7.270200       3.690600     -0.6037000    
 H   0.1752000      -3.356600      -1.099400    
 H   0.4480000      -3.277900      0.6429000    
 H    1.817700      -2.239900      -1.111300    
 H    1.221600       1.072800     -0.8888000    
 H    2.411000      0.3326000       1.310000    
 H    3.982800      -1.761000      -2.127100    
 H   -1.535100      0.3088000       1.353600    
 H  -7.4500002E-02   2.822500      -1.839800    
 H    4.595200       1.251100       1.768000    
 H    6.214500     -0.8242000      -1.659400    
 H   -3.437700       1.769800       1.652900    
 H   -2.014800       4.311900      -1.539500    
 H   -1.373900      -3.806800       2.204200    
 H   -1.953700      -3.962600      -2.066100    
 H   -3.455200      -5.096700       2.525900    
 H   -4.032300      -5.251800      -1.729200    
 H   -4.788800      -5.821400      0.5638000    
 H    6.000300       2.720300      0.6499000    
 H    6.845500       1.963000       2.036300    
 H   -5.162700       3.384400       1.782700    
 H   -5.255400       2.337300      0.3371000    
 H    8.190500       3.782700      0.9835000    
 H    8.136600       2.918100     -0.5715000    
 H    8.996100       2.207900      0.7890000    
 H   -6.355500       5.221300      0.4851000    
 H   -8.083000       4.328200     -0.9342000    
 H   -7.268900       2.657200     -0.9321000    


%chk=000050524-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050524

0 1
O 6.719581 1.167258 0.088456
O -3.993106 3.908754 0.087293
N 1.819427 -1.404649 -1.162880
N 0.319405 0.407658 -1.032430
N -0.550362 -1.797819 -0.843877
C 0.469135 -0.981658 -0.988447
C 3.014507 -0.705939 -0.822045
C -0.819021 1.205938 -0.743105
C -0.303325 -3.244078 -0.718940
C -1.456523 -3.964381 -0.019666
C 3.084802 0.184300 0.280995
C 4.195954 -0.944570 -1.579915
C -2.120190 0.684721 -0.531995
C -0.624291 2.616655 -0.682148
C 5.464276 0.585902 -0.151622
C 4.294055 0.838313 0.606448
C 5.407329 -0.318857 -1.241784
C -2.992141 2.953405 -0.183263
C -3.197458 1.554714 -0.248108
C -1.696169 3.480561 -0.409254
C -2.331025 -3.276506 0.854775
C -1.631120 -5.358860 -0.205162
C -3.356692 -3.970875 1.536306
C -2.655174 -6.055804 0.474172
C -3.522775 -5.362845 1.350631
C 6.834501 2.106930 1.221238
C -5.350168 3.398184 0.367292
C 8.284607 2.581559 1.256457
C -6.205681 4.579959 0.738770
C -7.421467 4.837591 0.198644
H -0.172015 -3.706757 -1.724038
H 0.634327 -3.459759 -0.149301
H 1.938242 -2.313014 -1.611222
H 1.159227 0.925346 -1.299388
H 2.200743 0.351656 0.904327
H 4.160110 -1.621952 -2.441760
H -2.265109 -0.394584 -0.608916
H 0.376056 3.037966 -0.847475
H 4.309557 1.519160 1.462295
H 6.319204 -0.504919 -1.817191
H -4.190431 1.120287 -0.096884
H -1.552153 4.564222 -0.362936
H -2.199830 -2.197615 0.984148
H -0.965511 -5.903852 -0.887984
H -4.026576 -3.425767 2.211696
H -2.779591 -7.133543 0.317309
H -4.319211 -5.900493 1.877761
H 6.136245 2.956083 1.068594
H 6.558396 1.586933 2.161980
H -5.293149 2.676811 1.212102
H -5.755539 2.871326 -0.520254
H 8.431669 3.292097 2.090070
H 8.551754 3.087779 0.313281
H 8.969568 1.728410 1.398428
H -5.789100 5.234797 1.515963
H -8.025581 5.689297 0.529287
H -7.848493 4.205724 -0.590128


