%chk=000049380.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049380

0 1
 O  -0.2360000      -1.633400       2.394900    
 O   -1.544100      -2.507400     -0.1171000    
 O   -2.699200       2.882800     -3.2400001E-02
 N    2.509100      0.3965000     -0.1289000    
 C    1.835400     -0.7764000     -0.6959000    
 C    1.197200      -1.576000      0.4538000    
 C   0.2132000     -0.7851000       1.334600    
 C    2.842500      -1.596200      -1.500700    
 C    3.560800     -2.0500001E-02  0.7956000    
 C    3.061700       1.228400      -1.195300    
 C   -1.006600     -0.2837000      0.5975000    
 C    4.234700       1.180100       1.438000    
 C    1.978200       1.669400      -2.164800    
 C   -1.818700      -1.173200     -8.8000000E-02
 C   -1.287800       1.073500      0.6244000    
 C   -2.409600       1.553000     -5.1700000E-02
 C   -2.940600     -0.6936000     -0.7641000    
 C   -3.236100      0.6696000     -0.7459000    
 C   -2.442000      -3.337700     -0.8507000    
 C   -1.812300       3.730000      0.6965000    
 H    1.013300     -0.4864000      -1.357900    
 H    1.952100      -2.052500       1.091800    
 H   0.7155000      -2.456600      1.6200000E-02
 H   0.7325000      4.8300002E-02   1.820500    
 H    2.308700      -2.446400      -1.946800    
 H    3.637500      -2.048800     -0.9021000    
 H    3.284500      -1.067900      -2.348700    
 H    4.354000     -0.6142000      0.3308000    
 H    3.166100     -0.5927000       1.638600    
 H    3.913000      0.7896000      -1.726800    
 H    3.436000       2.162900     -0.7609000    
 H    4.857200      0.8479000       2.276900    
 H    3.502100       1.889400       1.838500    
 H    4.899900       1.707700      0.7474000    
 H    1.088500       2.039000      -1.642700    
 H    2.354100       2.493800      -2.781600    
 H    1.681700      0.8761000      -2.857500    
 H  -0.6126000       1.716900       1.177300    
 H   0.5468000      -1.910300       2.901000    
 H   -3.627300      -1.318900      -1.324000    
 H   -4.111300       1.038400      -1.273800    
 H   -2.071700      -4.364800     -0.7663000    
 H   -3.448000      -3.326700     -0.4177000    
 H   -2.443000      -3.087900      -1.917200    
 H   -1.809100       3.486200       1.764300    
 H  -0.8053000       3.724600      0.2655000    
 H   -2.193300       4.752400      0.6038000    


%chk=000049380-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049380

0 1
O -0.020170 -2.053972 2.254827
O -1.743873 -2.683813 0.187654
O -2.345351 2.910273 -0.295444
N 2.571707 0.450630 -0.152971
C 1.996836 -0.769099 -0.811964
C 1.339877 -1.735542 0.207082
C 0.357880 -1.079332 1.210977
C 3.005005 -1.551936 -1.702883
C 3.646573 0.176193 0.840551
C 2.984153 1.518475 -1.106954
C -0.873935 -0.467030 0.545229
C 3.795775 1.296665 1.891404
C 1.897011 1.935740 -2.115096
C -1.922007 -1.280493 0.033596
C -0.999500 0.936605 0.442994
C -2.140099 1.523961 -0.157531
C -3.062333 -0.700617 -0.568622
C -3.170227 0.701266 -0.666139
C -2.805887 -3.563718 -0.302982
C -1.336167 3.797713 0.284333
H 1.183902 -0.395653 -1.462940
H 2.108951 -2.261370 0.806048
H 0.801613 -2.516431 -0.363780
H 0.889022 -0.285179 1.759546
H 2.493568 -2.381388 -2.225915
H 3.819795 -1.989054 -1.096185
H 3.461177 -0.901460 -2.471800
H 4.635040 0.007305 0.343334
H 3.396848 -0.758975 1.371199
H 3.910689 1.231559 -1.669897
H 3.256022 2.404831 -0.504098
H 4.543521 1.007380 2.653106
H 2.831046 1.473234 2.399973
H 4.129360 2.250645 1.445240
H 0.942649 2.143609 -1.599492
H 2.214958 2.852433 -2.645211
H 1.707488 1.161805 -2.879885
H -0.177812 1.547643 0.829511
H -0.621584 -2.714819 1.813888
H -3.874015 -1.321385 -0.959102
H -4.046065 1.170329 -1.123943
H -2.462832 -4.585375 -0.081401
H -3.762549 -3.368852 0.219119
H -2.946535 -3.447066 -1.394707
H -1.235072 3.635574 1.375403
H -0.349090 3.661159 -0.200031
H -1.703663 4.816735 0.092360


