%chk=000096819.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096819

0 1
 O    5.401300       2.335300     -0.5647000    
 O    1.383200       1.440400       1.458200    
 O   -2.573500      0.8569000     -0.3744000    
 O  -0.8480000      4.6000001E-03  -1.627800    
 N    2.894900       1.242900     -0.2969000    
 N    5.851900       1.657000       1.583200    
 N  -0.6049000       1.957900     -0.3967000    
 C    3.976900      0.6440000      0.4430000    
 C    4.394800     -0.7120000     -0.1370000    
 C    3.267200      -1.715100     -0.1476000    
 C    5.143000       1.620700      0.4008000    
 C    2.424600      -1.805900      -1.255700    
 C    3.067200      -2.551200      0.9508000    
 C    1.678400       1.594400      0.2756000    
 C   0.7574000       2.252600     -0.7294000    
 C    1.382200      -2.732900      -1.265100    
 C    2.024900      -3.478200      0.9414000    
 C    1.182400      -3.568900     -0.1665000    
 C   -4.758300     -8.3499998E-02 -0.1583000    
 C   -3.405000     -0.2328000     -0.7889000    
 C   -1.300600      0.8578000     -0.8717000    
 C   -5.759500      0.6314000     -0.8160000    
 C   -5.015400     -0.6593000       1.086000    
 C   -7.017400      0.7703000     -0.2294000    
 C   -6.273300     -0.5205000       1.672400    
 C   -7.274200      0.1942000       1.014800    
 H    3.658100      0.5106000       1.484100    
 H    5.241400      -1.118900      0.4319000    
 H    4.772800     -0.5870000      -1.161300    
 H    3.058500       1.455600      -1.277100    
 H    2.569200      -1.161600      -2.118800    
 H    3.715600      -2.488000       1.820700    
 H   0.9002000       3.336100     -0.6837000    
 H   0.9663000       1.901300      -1.744800    
 H   0.7256000      -2.803100      -2.127400    
 H    1.868700      -4.128500       1.797100    
 H   0.3703000      -4.290000     -0.1736000    
 H    6.646100       2.278500       1.694300    
 H    5.625400       1.063700       2.374800    
 H   -1.090200       2.586400      0.2365000    
 H   -2.948500      -1.183000     -0.4850000    
 H   -3.495100     -0.2347000      -1.882300    
 H   -5.570900       1.086500      -1.784700    
 H   -4.243000      -1.216700       1.609300    
 H   -7.796800       1.327400     -0.7411000    
 H   -6.473300     -0.9683000       2.641400    
 H   -8.253600      0.3027000       1.471600    


%chk=000096819-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096819

0 1
O 5.640625 0.148235 -1.305642
O 3.144986 2.569232 1.692196
O -1.920473 1.484321 -0.335516
O 0.081705 1.435965 -1.588106
N 2.560896 1.241823 -0.138305
N 5.505800 1.717281 0.415069
N -0.117203 2.652927 0.402455
C 3.587679 0.201747 0.101233
C 3.218503 -1.107113 -0.629885
C 1.984118 -1.807916 -0.078112
C 5.009656 0.684755 -0.346759
C 0.851370 -2.039780 -0.898723
C 1.957125 -2.285576 1.259127
C 2.385479 2.315236 0.692572
C 1.219757 3.258928 0.321760
C -0.276065 -2.734588 -0.402030
C 0.831987 -2.974478 1.762104
C -0.290449 -3.204133 0.931329
C -3.741903 -0.101825 -0.617591
C -2.535323 0.502822 -1.293257
C -0.594151 1.828151 -0.587637
C -5.045984 0.164936 -1.100700
C -3.580209 -0.955611 0.504275
C -6.175354 -0.414247 -0.477507
C -4.706710 -1.527282 1.133040
C -6.007564 -1.260294 0.642050
H 3.632070 0.036688 1.196217
H 4.100323 -1.769935 -0.561603
H 3.097886 -0.891839 -1.707140
H 1.893358 1.125023 -0.920932
H 0.856297 -1.678119 -1.934110
H 2.829024 -2.131248 1.907821
H 1.264867 4.108632 1.019503
H 1.379001 3.634374 -0.706698
H -1.136527 -2.920541 -1.055866
H 0.833468 -3.341211 2.794895
H -1.159254 -3.751769 1.314542
H 6.422190 2.099606 0.180674
H 4.915940 2.141018 1.149622
H -0.715952 2.833614 1.208605
H -1.760534 -0.245061 -1.539010
H -2.806147 1.051833 -2.211888
H -5.179424 0.828688 -1.963792
H -2.572715 -1.161888 0.883837
H -7.179706 -0.203152 -0.860788
H -4.573959 -2.181382 2.002087
H -6.881503 -1.707745 1.128583


