%chk=000056655.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056655

0 1
 O   -1.995500       2.686500       1.124900    
 O   0.5110000      -2.480500     -0.3441000    
 O    2.881800      -1.107800     -0.2083000    
 O    2.875100       1.644300      6.7599997E-02
 N   -3.181700     -0.3659000     -0.5641000    
 C   -2.037400       1.718100      7.9099998E-02
 C   -3.246700      0.8032000      0.3176000    
 C  -0.7284000      0.9645000      2.6900001E-02
 C  -0.7267000     -0.4315000     -0.1475000    
 C   -2.025400      -1.203100     -0.2026000    
 C   0.4923000      -1.121600     -0.2127000    
 C   0.4947000       1.649800      8.2199998E-02
 C   -4.417700      -1.143700     -0.4863000    
 C    1.700600     -0.4300000     -0.1391000    
 C    1.701700      0.9549000      3.8000001E-03
 C   0.5184000      -3.244700      0.8584000    
 C    3.758800     -0.9950000      0.9100000    
 C    3.425200       2.102500      -1.165900    
 H   -2.157000       2.248700     -0.8742000    
 H   -3.301100      0.5031000       1.374100    
 H   -4.156700       1.386300      0.1238000    
 H   -1.936500      -1.996000     -0.9553000    
 H   -2.184700      -1.674400      0.7760000    
 H   0.5079000       2.732400      0.1862000    
 H   -5.273100     -0.5373000     -0.8040000    
 H   -4.614000      -1.512000      0.5272000    
 H   -4.374200      -2.003700      -1.163800    
 H   -2.833700       3.179000       1.101600    
 H    1.471300      -3.120900       1.381700    
 H   0.4025000      -4.299300      0.5937000    
 H  -0.3064000      -2.959100       1.518200    
 H    3.220100     -0.7818000       1.839900    
 H    4.511300     -0.2245000      0.7204000    
 H    4.277000      -1.951100       1.028800    
 H    4.364400       2.619500     -0.9509000    
 H    2.741700       2.805600      -1.652400    
 H    3.634500       1.259600      -1.832200    


%chk=000056655-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056655

0 1
O -2.041725 3.079078 0.479256
O 0.297466 -2.455342 0.421869
O 2.821635 -1.051325 0.417151
O 2.786705 1.814845 0.092487
N -3.325772 -0.378306 -0.302255
C -2.170581 1.782105 -0.216379
C -3.345321 0.952137 0.340004
C -0.855087 1.036583 -0.055656
C -0.862320 -0.375088 0.073408
C -2.153789 -1.174968 0.123426
C 0.374205 -1.062666 0.206742
C 0.366804 1.746905 -0.077311
C -4.584608 -1.127875 -0.150477
C 1.602692 -0.351265 0.223253
C 1.587383 1.061288 0.049287
C 1.133002 -3.317511 -0.442901
C 3.441034 -0.788850 1.740196
C 3.737142 1.530090 -1.005810
H -2.360983 1.953449 -1.298699
H -3.260295 0.904255 1.454997
H -4.305106 1.446877 0.095094
H -2.065597 -2.063908 -0.527848
H -2.285174 -1.572216 1.164736
H 0.368110 2.836101 -0.161859
H -5.424335 -0.536065 -0.556370
H -4.821890 -1.386876 0.912620
H -4.524419 -2.071885 -0.722051
H -2.821005 3.642717 0.241105
H 0.861078 -3.170257 -1.506162
H 0.894171 -4.347055 -0.134269
H 2.203139 -3.100071 -0.294997
H 2.771315 -1.137308 2.548087
H 3.651452 0.289271 1.857307
H 4.377574 -1.367829 1.748413
H 4.613949 2.165352 -0.806322
H 3.287461 1.806272 -1.978965
H 4.025086 0.463438 -1.012407


