%chk=000050709.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050709

0 1
 O    1.454500       1.848700      0.5176000    
 O    1.592600       1.617800      -1.768500    
 N   -2.203800       1.536200      3.0800000E-02
 N    5.815900      -2.644400      0.4776000    
 C   -3.043300      0.4014000     -0.3522000    
 C   -5.254300      -1.493500      0.2105000    
 C   -4.508400      0.8432000     -0.4273000    
 C   -2.867100     -0.7563000      0.6367000    
 C   -5.426600     -0.3287000     -0.7735000    
 C   -3.785000      -1.928500      0.2913000    
 C   -6.144000      -2.670300     -0.1859000    
 C  -0.8072000       1.138000      0.1185000    
 C   0.1057000       2.313500      0.4757000    
 C  -0.2127000       2.926900       1.833300    
 C    1.932300       1.312100     -0.6361000    
 C    2.951300      0.2723000     -0.3444000    
 C    3.965500      5.8200002E-02  -1.255300    
 C    2.853400     -0.4470000      0.8292000    
 C    4.923400     -0.9179000     -0.9806000    
 C    3.811500      -1.423000       1.103900    
 C    4.846400      -1.658400      0.1989000    
 H   -2.744600      5.9400000E-02  -1.352900    
 H   -5.568900      -1.153700       1.206400    
 H   -4.629300       1.629100      -1.183200    
 H   -4.823400       1.274300      0.5323000    
 H   -3.074200     -0.4221000       1.661600    
 H   -1.851300      -1.163500      0.6213000    
 H   -6.467900      1.4900000E-02 -0.7667000    
 H   -5.210600     -0.6668000      -1.795100    
 H   -3.471400      -2.363500     -0.6666000    
 H   -3.669800      -2.713300       1.048700    
 H   -2.308200       2.286600     -0.6516000    
 H   -7.196700      -2.369600     -0.2116000    
 H   -5.877700      -3.055900      -1.175900    
 H   -6.047200      -3.489900      0.5340000    
 H  -0.6406000      0.3928000      0.9033000    
 H  -0.5042000      0.6735000     -0.8257000    
 H   3.0900000E-02   3.103100     -0.2835000    
 H   0.5090000       3.716000       2.071700    
 H  -0.1310000       2.178700       2.629600    
 H   -1.216700       3.360400       1.860400    
 H    4.038000      0.6307000      -2.175200    
 H    2.050500     -0.2933000       1.543800    
 H    5.725800      -1.091400      -1.693200    
 H    3.739100      -1.995500       2.025100    
 H    5.759100      -3.182900       1.331600    
 H    6.565400      -2.817100     -0.1791000    


%chk=000050709-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050709

0 1
O 1.461999 0.788788 0.816362
O 1.775135 1.355270 -1.432909
N -2.193757 0.903745 -0.091935
N 7.417771 -1.501088 0.109646
C -3.312647 -0.044029 -0.338428
C -6.188862 -0.880318 0.038424
C -4.474733 0.709812 -1.024551
C -3.809148 -0.684528 0.981060
C -5.691333 -0.212005 -1.269155
C -5.016993 -1.618279 0.734261
C -7.379048 -1.825857 -0.228597
C -0.877130 0.295595 0.198341
C 0.082275 1.371709 0.755942
C -0.261669 1.822437 2.173695
C 2.215063 0.836390 -0.370135
C 3.552269 0.224714 -0.206953
C 4.430930 0.202974 -1.324605
C 3.992815 -0.342644 1.020090
C 5.708466 -0.364943 -1.227155
C 5.269296 -0.914109 1.129147
C 6.151508 -0.935418 0.005679
H -2.996866 -0.875286 -1.023087
H -6.529211 -0.071239 0.722009
H -4.125760 1.139419 -1.986663
H -4.767828 1.560294 -0.375525
H -4.091385 0.135540 1.671319
H -2.991133 -1.249629 1.468221
H -6.514446 0.366989 -1.732694
H -5.414433 -1.007572 -1.993297
H -4.703316 -2.472676 0.096647
H -5.362370 -2.050197 1.694295
H -2.113884 1.576920 -0.868950
H -8.224416 -1.287611 -0.697452
H -7.082241 -2.646032 -0.910987
H -7.746877 -2.284667 0.708552
H -1.006123 -0.493794 0.960843
H -0.406441 -0.175313 -0.695598
H 0.115046 2.225507 0.051349
H 0.387165 2.654033 2.497895
H -0.141010 0.985615 2.884990
H -1.314890 2.152127 2.192405
H 4.084034 0.642203 -2.266064
H 3.319866 -0.325676 1.881991
H 6.374802 -0.373450 -2.098286
H 5.596847 -1.348130 2.081760
H 7.738041 -1.906934 0.984344
H 8.048820 -1.517362 -0.686540


