%chk=000057959.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057959

0 1
 O   -1.826200      -2.306700     -0.3418000    
 O   -4.174500       2.446700      0.3328000    
 O    5.007000       2.017700      -1.178500    
 O    2.759500       3.243800      4.0500000E-02
 N    4.688600      0.6543000      0.7064000    
 N    2.007100       1.004400     -0.1880000    
 C    6.044400      -1.250600     -4.1800000E-02
 C    5.035600      -2.275300      0.4770000    
 C   -1.552200      1.3400000E-02 -9.4700001E-02
 C   -2.165800       1.255200      8.2300000E-02
 C    5.993300      3.8300000E-02  0.7699000    
 C    5.113500      -3.581700     -0.3126000    
 C   -3.834500      -1.115100     -9.0899996E-02
 C   -4.448200      0.1269000      8.5600004E-02
 C   -2.364000      -1.217200     -0.1874000    
 C   -3.636300       1.357400      0.1785000    
 C  -0.1575000     -6.9799997E-02 -0.1854000    
 C   0.6171000       1.087400     -9.8399997E-02
 C   -1.384700       2.413900      0.1692000    
 C   4.6999999E-03   2.326600      7.8599997E-02
 C    4.088800      -4.591600      0.1788000    
 C   -4.615600      -2.273800     -0.1775000    
 C   -5.842800      0.2100000      0.1756000    
 C    4.340700       1.572900     -0.2576000    
 C   -6.005100      -2.186300     -8.7600000E-02
 C   -6.617500     -0.9471000      8.8500001E-02
 C    2.924700       2.046300     -0.1218000    
 H    5.837700      -1.034600      -1.097100    
 H    7.057200      -1.666700      1.2500000E-02
 H    4.016800      -1.877300      0.4019000    
 H    5.226400      -2.477300       1.538200    
 H    6.739900      0.7444000      0.3904000    
 H    6.213600     -0.1570000       1.824600    
 H    6.117400      -4.012700     -0.2214000    
 H    4.940200      -3.384600      -1.377000    
 H   0.3313000      -1.031700     -0.3230000    
 H   -1.839200       3.391500      0.3067000    
 H   0.5439000       3.261400      0.1528000    
 H    4.003400      0.3877000       1.407700    
 H    4.163300      -5.518600     -0.3984000    
 H    4.251700      -4.834100       1.233700    
 H    3.071000      -4.203600      6.8300001E-02
 H   -4.162400      -3.251900     -0.3147000    
 H   -6.344300       1.164100      0.3130000    
 H    2.382900      6.7800000E-02 -0.3208000    
 H   -6.610400      -3.085700     -0.1549000    
 H   -7.699500     -0.8818000      0.1583000    


%chk=000057959-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057959

0 1
O -1.901942 -2.006421 -1.141827
O -4.392020 2.390148 1.093951
O 4.977893 2.412961 -1.171467
O 2.638927 3.348824 0.556593
N 4.677174 0.567762 0.245819
N 1.878485 1.249191 -0.214628
C 5.938323 -1.493718 -0.460726
C 5.316730 -2.466249 0.568612
C -1.700431 0.212214 -0.212040
C -2.341909 1.346981 0.367300
C 6.011564 -0.026923 0.016500
C 5.341031 -3.938344 0.095376
C -3.961790 -0.958030 -0.434704
C -4.601808 0.178851 0.143385
C -2.482049 -0.993666 -0.634432
C -3.817259 1.380665 0.573299
C -0.303635 0.210792 -0.394289
C 0.476015 1.328026 -0.006325
C -1.552060 2.459583 0.749682
C -0.158496 2.466947 0.572310
C 4.717321 -4.910480 1.119358
C -4.737654 -2.076740 -0.828329
C -6.007189 0.177461 0.317699
C 4.277013 1.751427 -0.357628
C -6.135468 -2.069132 -0.651290
C -6.771645 -0.939089 -0.076896
C 2.858755 2.214859 0.057382
H 5.373667 -1.538983 -1.412842
H 6.971786 -1.824013 -0.688771
H 4.262911 -2.182093 0.778631
H 5.863640 -2.383185 1.531432
H 6.505542 0.609641 -0.737338
H 6.602920 0.036881 0.952129
H 6.390235 -4.234334 -0.107614
H 4.803326 -4.019234 -0.871000
H 0.150106 -0.680677 -0.845035
H -2.060290 3.323117 1.190032
H 0.445315 3.327768 0.863725
H 4.093418 0.169941 0.986131
H 4.753030 -5.953920 0.757222
H 5.255670 -4.869777 2.084974
H 3.657840 -4.658406 1.314484
H -4.220768 -2.934963 -1.269167
H -6.472085 1.062491 0.763381
H 2.210448 0.400970 -0.684794
H -6.731343 -2.935415 -0.957487
H -7.858245 -0.934408 0.059720


