%chk=000119296.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000119296

0 1
 O    4.773300     -0.2956000     -3.8800001E-02
 O   -1.808400     -0.8802000      -1.615400    
 O    3.180200      -1.326300       1.242000    
 O    2.489000       2.731100     -0.8069000    
 N    2.710900      0.7245000      0.2575000    
 N    3.280900       1.802900     -0.6106000    
 N   -5.232400      0.5042000       1.338000    
 C   0.3313000      0.2342000     -0.1733000    
 C   -1.104800      0.3257000      0.3534000    
 C    1.371000      0.8464000      0.7639000    
 C   -2.128700     -0.3178000     -0.5711000    
 C   -3.570700     -0.2410000     -0.2026000    
 C    3.532800     -0.3787000      0.5419000    
 C   -4.511800     -0.8131000      -1.019700    
 C   -3.942800      0.3988000      0.9461000    
 C    5.660900      -1.390900      0.2143000    
 C   -5.849300     -0.7254000     -0.6499000    
 C   -6.154400     -6.2100001E-02  0.5277000    
 C    6.973100      -1.136600     -0.4964000    
 H   0.3868000      0.7257000      -1.153300    
 H   0.5830000     -0.8191000     -0.3543000    
 H   -1.356700       1.385300      0.4741000    
 H   -1.155000     -0.1752000       1.326900    
 H    1.321400      0.3227000       1.726600    
 H    1.138100       1.895800      0.9773000    
 H   -4.251400      -1.328700      -1.938500    
 H   -3.250000      0.8672000       1.634100    
 H    5.834800      -1.477700       1.292600    
 H    5.211600      -2.318000     -0.1586000    
 H   -6.628500      -1.162300      -1.263800    
 H   -7.182600      3.3799998E-02  0.8605000    
 H    7.425600     -0.2025000     -0.1474000    
 H    6.812900      -1.028700      -1.574200    
 H    7.676500      -1.956000     -0.3240000    


%chk=000119296-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000119296

0 1
O 4.813978 -0.267390 -0.047820
O -1.792167 -0.902007 -1.640357
O 3.134613 -1.310804 1.207671
O 2.509879 2.783931 -0.780906
N 2.758295 0.786975 0.232752
N 3.321220 1.825800 -0.572677
N -5.333901 0.504005 1.375920
C 0.356179 0.200743 -0.215008
C -1.074938 0.336072 0.335712
C 1.371252 0.851804 0.750371
C -2.124324 -0.310150 -0.573261
C -3.574482 -0.227215 -0.176730
C 3.561807 -0.356169 0.514174
C -4.553920 -0.820711 -1.017895
C -4.022329 0.420456 1.006107
C 5.710135 -1.446735 0.208706
C -5.911288 -0.744068 -0.652882
C -6.254358 -0.074417 0.547516
C 7.031104 -1.134918 -0.482802
H 0.417239 0.677543 -1.209240
H 0.602232 -0.866693 -0.353722
H -1.337351 1.405446 0.475164
H -1.149219 -0.127448 1.341936
H 1.361347 0.341448 1.727703
H 1.139630 1.923780 0.888277
H -4.223348 -1.323791 -1.932488
H -3.315697 0.896165 1.695181
H 5.815679 -1.566551 1.301684
H 5.215358 -2.346884 -0.197537
H -6.692680 -1.188917 -1.276533
H -7.299254 0.008149 0.867488
H 7.484289 -0.217003 -0.072261
H 6.885714 -0.995892 -1.567218
H 7.735908 -1.972153 -0.328924


