%chk=000057683.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057683

0 1
 O    8.481700       2.488700     -0.2175000    
 O    9.794800      4.8400000E-02  6.0000003E-04
 O   -10.52000      0.7199000     -0.2967000    
 O   -4.385000       1.693200      0.7708000    
 O    1.622200      -2.864400      0.1582000    
 N   -4.272000     -0.4809000     -0.1174000    
 N    2.119600     -0.6071000      2.9500000E-02
 N    3.454200     -0.8355000      5.5300001E-02
 C   -2.909900     -0.7783000     -6.8000004E-02
 C  -0.1864000      -1.374000      3.3000000E-02
 C   -6.391900      0.7024000      0.1363000    
 C   -2.009200      0.1594000      0.4370000    
 C   -2.448900      -2.014000     -0.5224000    
 C  -0.6475000     -0.1384000      0.4875000    
 C   -1.087200      -2.311700     -0.4719000    
 C   -4.913400      0.6964000      0.2899000    
 C    5.645400      0.1908000     -2.6300000E-02
 C    7.774600       1.328500     -0.1183000    
 C   -7.101900     -0.4976000      0.1713000    
 C   -7.069300       1.908500     -4.3600000E-02
 C    8.433700      0.1040000     -8.6000003E-03
 C    6.380500       1.371800     -0.1272000    
 C    6.304400      -1.033700      8.3400004E-02
 C    1.233300      -1.684700      8.5000001E-02
 C   -9.166500      0.7144000     -0.1533000    
 C    7.698600      -1.077200      9.2100002E-02
 C   -8.489200     -0.4917000      2.6500000E-02
 C   -8.456500       1.914600     -0.1884000    
 C    4.172600      0.2362000     -3.5700001E-02
 C    7.732100       3.697200     -0.3261000    
 C    10.38990      -1.242600      0.1159000    
 C   -11.18290     -0.5427000     -0.2509000    
 H   -2.288600       1.133100      0.8137000    
 H   -3.139300      -2.754100     -0.9190000    
 H   -4.837600      -1.213400     -0.5371000    
 H   1.7300000E-02  0.6072000      0.9142000    
 H  -0.7477000      -3.278300     -0.8351000    
 H   -6.620600      -1.455200      0.3460000    
 H   -6.533900       2.853700     -7.9200000E-02
 H    5.815600       2.294400     -0.2100000    
 H    5.756500      -1.968800      0.1633000    
 H    8.142300      -2.062900      0.1799000    
 H   -8.979500      -1.458300      7.1400002E-02
 H   -8.978600       2.857000     -0.3298000    
 H    3.713700       1.238700     -0.1249000    
 H    1.816400      0.3550000     -8.0899999E-02
 H    7.135500       3.721400      -1.244400    
 H    7.128900       3.880400      0.5696000    
 H    8.453500       4.518100     -0.3954000    
 H    10.14030      -1.718400       1.070400    
 H    10.14650      -1.877400     -0.7429000    
 H    11.47540      -1.098800      0.1070000    
 H   -12.25280     -0.3508000     -0.3824000    
 H   -11.06250      -1.025200      0.7250000    
 H   -10.87080      -1.191400      -1.076300    


%chk=000057683-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057683

0 1
O 8.834735 2.378980 -0.133266
O 9.997209 0.017761 0.130315
O -10.826799 0.631476 -0.133429
O -4.539919 1.830657 0.494219
O 1.627663 -2.827451 -0.125794
N -4.384240 -0.415478 -0.173311
N 2.159367 -0.539288 -0.121300
N 3.523117 -0.756176 -0.051685
C -2.983907 -0.631319 -0.131687
C -0.192396 -1.220761 -0.104602
C -6.597025 0.614454 0.082940
C -2.055536 0.341914 0.329403
C -2.504175 -1.901492 -0.562349
C -0.680670 0.036456 0.340327
C -1.132213 -2.189834 -0.543789
C -5.103202 0.741126 0.162763
C 5.762795 0.178647 -0.057349
C 7.969608 1.280590 -0.068633
C -7.297315 -0.617285 0.144922
C -7.349626 1.817559 -0.023635
C 8.602495 0.001962 0.074873
C 6.565011 1.354950 -0.133280
C 6.397837 -1.080479 0.084853
C 1.257201 -1.620840 -0.108604
C -9.435012 0.547917 -0.052054
C 7.801831 -1.163538 0.149748
C -8.706206 -0.661946 0.078820
C -8.748302 1.790493 -0.096924
C 4.304977 0.303000 -0.128317
C 8.225801 3.702315 -0.275300
C 10.678648 -1.272188 0.275850
C -11.594082 -0.618473 -0.086050
H -2.424615 1.309896 0.671023
H -3.214225 -2.663107 -0.910304
H -4.932573 -1.198814 -0.534547
H 0.003318 0.792155 0.746358
H -0.755228 -3.168057 -0.858514
H -6.763256 -1.564290 0.294645
H -6.803861 2.766089 -0.041503
H 6.072520 2.327391 -0.243388
H 5.777363 -1.979479 0.142386
H 8.273303 -2.144447 0.259858
H -9.217909 -1.626332 0.144273
H -9.334824 2.709431 -0.186591
H 3.897234 1.329982 -0.247840
H 1.790674 0.415675 -0.243951
H 7.646859 3.782854 -1.216573
H 7.570247 3.940488 0.585618
H 9.072805 4.403252 -0.300751
H 10.392439 -1.774179 1.220335
H 10.463543 -1.939576 -0.581036
H 11.749767 -1.024460 0.295527
H -12.645830 -0.310890 -0.174445
H -11.438687 -1.147179 0.873910
H -11.326835 -1.284215 -0.929064


