%chk=000048167.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048167

0 1
 O   -2.766800      0.5041000      -1.304200    
 O  -6.4800002E-02 -0.4647000       1.950200    
 O    1.924900      -2.206400      -1.930300    
 O  -0.2155000      -4.961800       1.050000    
 N  -0.2245000      -2.697600       1.448500    
 N   0.7700000      -3.567700     -0.4896000    
 C   0.4599000      -1.139800     -0.3190000    
 C    1.369600      9.4300002E-02 -0.4065000    
 C  -0.8367000     -0.8725000      -1.104100    
 C    2.712500     -0.1773000      0.2573000    
 C   6.1299998E-02  -1.377400       1.134100    
 C    1.147600      -2.328100     -0.9839000    
 C   -1.576400      0.3270000     -0.5490000    
 C    3.612500       1.028700      0.1714000    
 C   7.4199997E-02  -3.820700      0.6865000    
 C    4.457500       1.172200     -0.9192000    
 C    3.581300       1.976300       1.183900    
 C   -3.832200       1.072500     -0.6556000    
 C    5.290400       2.288300     -0.9990000    
 C    4.414200       3.092400       1.104000    
 C    5.268600       3.248300      1.2400000E-02
 C   -3.606600       1.979000      0.3739000    
 C   -5.126600      0.7360000      -1.034000    
 C   -4.690800       2.556800       1.034400    
 C   -6.210800       1.313900     -0.3733000    
 C   -5.992800       2.224300      0.6608000    
 H    1.527000      0.3787000      -1.455900    
 H   0.9258000      0.9671000      8.6400002E-02
 H   -1.500700      -1.747600      -1.078300    
 H  -0.6227000     -0.7119000      -2.169600    
 H    2.584700     -0.4451000       1.313600    
 H    3.239400      -1.026100     -0.1918000    
 H   -1.833900      0.1503000      0.4983000    
 H  -0.9942000       1.246900     -0.6457000    
 H  -0.6232000      -2.869400       2.367300    
 H    1.104400      -4.380800     -0.9992000    
 H    4.480100      0.4312000      -1.713200    
 H    2.917800       1.865000       2.036800    
 H    5.955200       2.410200      -1.849100    
 H    4.396900       3.840400       1.891200    
 H    5.916800       4.117600     -4.9899999E-02
 H   -2.610800       2.287900      0.6765000    
 H   -5.300500      2.7200000E-02  -1.838600    
 H   -4.521800       3.270900       1.835200    
 H   -7.224600       1.055300     -0.6644000    
 H   -6.837000       2.675500       1.174000    


%chk=000048167-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048167

0 1
O -3.064715 0.050988 -0.803048
O 0.035698 -0.935109 2.193870
O 1.486401 -2.211967 -2.255742
O 0.749992 -5.381280 1.061799
N 0.335323 -3.136061 1.566859
N 1.068395 -3.758475 -0.591656
C 0.460963 -1.345644 -0.195841
C 1.350066 -0.067649 -0.274809
C -0.973205 -1.075573 -0.806748
C 2.811202 -0.287340 0.203129
C 0.278387 -1.760964 1.274402
C 1.063408 -2.444437 -1.095046
C -1.726451 0.112637 -0.191950
C 3.610197 1.006693 0.133760
C 0.713171 -4.180227 0.702146
C 4.336816 1.348943 -1.035492
C 3.604396 1.917483 1.221697
C -3.994667 1.043218 -0.437738
C 5.042079 2.571098 -1.116614
C 4.308093 3.140390 1.144581
C 5.029315 3.471643 -0.026235
C -3.736441 2.075185 0.498135
C -5.255132 0.953272 -1.078720
C -4.753958 3.015851 0.784271
C -6.256874 1.897924 -0.781911
C -6.013377 2.936322 0.151328
H 1.355033 0.282012 -1.322767
H 0.889138 0.716515 0.350021
H -1.606801 -1.976430 -0.693852
H -0.840414 -0.900196 -1.889603
H 2.799313 -0.662317 1.245214
H 3.291004 -1.058585 -0.428848
H -1.801114 0.029215 0.908731
H -1.246676 1.077383 -0.447999
H 0.127494 -3.414642 2.531952
H 1.393140 -4.497332 -1.224653
H 4.351882 0.652281 -1.883177
H 3.050721 1.662827 2.134450
H 5.602385 2.818905 -2.025313
H 4.298322 3.830951 1.995590
H 5.578056 4.418205 -0.086417
H -2.770141 2.155207 1.004779
H -5.423778 0.145125 -1.797226
H -4.553960 3.813447 1.508739
H -7.229940 1.824541 -1.280262
H -6.794046 3.669369 0.379512


