%chk=000048422.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048422

0 1
 O  -0.4786000       1.118300       1.225200    
 O   -3.384800      -1.974000     -0.6284000    
 O   0.7379000      -1.353100      -2.515800    
 O    1.943500      -1.298400      0.6659000    
 N   0.1328000      5.1899999E-02 -0.7519000    
 N   -1.340100      -1.593700      -1.596400    
 N    3.690500      0.1870000      0.3154000    
 C   -2.235400      8.4100001E-02 -6.7800000E-02
 C   -2.800300       1.152400      -1.021400    
 C   -3.052700      9.1300003E-02   1.233800    
 C  -0.7849000      0.4604000      0.2292000    
 C   -2.388000      -1.264000     -0.7528000    
 C    1.476200      0.6164000     -0.6983000    
 C  -9.6799999E-02 -0.9722000      -1.690900    
 C   -2.621600       2.521300     -0.4521000    
 C   -2.532300     -0.9287000       2.190900    
 C    2.374600     -0.2611000      0.1555000    
 C    4.675100     -0.5443000       1.108900    
 C    4.176400       1.416800     -0.2982000    
 C   -3.633400       3.360900     -0.2054000    
 C   -3.268800      -1.934500       2.676000    
 C    5.434900      -1.546200      0.2643000    
 C    3.975600       2.609100      0.6143000    
 H   -2.285300       1.121700      -1.990700    
 H   -3.857300      0.9477000      -1.238300    
 H   -3.001600       1.061400       1.743300    
 H   -4.115800     -8.5000001E-02   1.022100    
 H    1.421400       1.624800     -0.2824000    
 H    1.872200      0.6606000      -1.717400    
 H   -1.470900      -2.419300      -2.174500    
 H   -1.613900       2.898600     -0.3011000    
 H   -1.510100     -0.8401000       2.547900    
 H    4.147300      -1.082400       1.904200    
 H    5.359600      0.1620000       1.590700    
 H    3.681600       1.601700      -1.254100    
 H    5.241700       1.301500     -0.5302000    
 H   -3.439600       4.359300      0.1711000    
 H   -4.665000       3.070400     -0.3700000    
 H   -2.841200      -2.636900       3.383100    
 H   -4.302200      -2.077000       2.380000    
 H    6.151600      -2.098200      0.8801000    
 H    5.987900      -1.050300     -0.5397000    
 H    4.754200      -2.269000     -0.1980000    
 H    4.327600       3.523100      0.1258000    
 H    4.537800       2.489700       1.546400    
 H    2.925800       2.752100      0.8846000    


%chk=000048422-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048422

0 1
O -0.185081 1.836792 0.015146
O -3.777456 -1.076513 -1.456270
O 0.635078 -1.986904 -2.516545
O 1.576550 -0.921294 0.979128
N 0.217840 -0.062549 -1.237109
N -1.557388 -1.488298 -1.926175
N 3.527455 0.236229 0.465296
C -2.134496 0.415755 -0.402597
C -3.046287 1.657573 -0.748502
C -2.410064 -0.044019 1.091146
C -0.652031 0.794125 -0.520802
C -2.572590 -0.749294 -1.301446
C 1.657151 0.240792 -1.186536
C -0.177323 -1.236973 -1.917762
C -3.071564 2.765850 0.284390
C -1.687949 -1.310602 1.501229
C 2.246933 -0.192773 0.181952
C 4.137595 -0.171923 1.757256
C 4.319511 1.128441 -0.414013
C -4.206883 3.207754 0.881436
C -2.326522 -2.440430 1.898031
C 4.945970 -1.480254 1.635830
C 4.136756 2.625332 -0.073784
H -2.704011 2.069675 -1.720407
H -4.066291 1.262008 -0.900253
H -2.103166 0.804058 1.732474
H -3.503927 -0.166989 1.188691
H 1.786773 1.322296 -1.349006
H 2.141210 -0.324907 -2.001206
H -1.846188 -2.320565 -2.450914
H -2.106359 3.231454 0.519832
H -0.588083 -1.281701 1.483627
H 3.319383 -0.304744 2.484590
H 4.781983 0.656632 2.106024
H 4.057892 0.940119 -1.469474
H 5.383261 0.845218 -0.306138
H -4.190618 4.036806 1.598121
H -5.185100 2.757185 0.668917
H -1.767613 -3.330546 2.208644
H -3.422041 -2.507408 1.925157
H 5.402206 -1.739181 2.608774
H 5.758062 -1.389045 0.891169
H 4.284282 -2.309150 1.332740
H 4.758373 3.250658 -0.740439
H 4.437872 2.832644 0.968525
H 3.082498 2.934765 -0.185845


