%chk=000126945.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126945

0 1
 O    1.771400     -0.6073000     -0.9398000    
 O    1.387400       2.350200       1.066700    
 O    3.546400       1.832800     -0.5006000    
 O    3.230100      -2.905500     -0.2665000    
 O   -4.662500     -0.6675000       1.158200    
 N  -0.3838000      1.0700000E-02 -0.1631000    
 N   -2.027300      -1.371600      0.4139000    
 C   0.9742000      0.4790000     -0.4304000    
 C    1.703600      0.9993000      0.7988000    
 C    3.151700      0.7966000      0.3985000    
 C    3.096200     -0.5226000     -0.3655000    
 C    3.310000      -1.735800      0.5289000    
 C   -1.541400      0.7306000     -0.2805000    
 C  -0.7282000      -1.246000      0.2567000    
 C   -2.540100     -0.1431000      8.0300003E-02
 C   -1.576800       2.138600     -0.7144000    
 C   -3.990800      9.6600004E-02  0.1358000    
 C   -4.719900     -0.2348000      -1.177100    
 H   0.9098000       1.232000      -1.223600    
 H    1.466200      0.4008000       1.685900    
 H    3.842600      0.8073000       1.246200    
 H    3.802400     -0.5487000      -1.203100    
 H    2.546700      -1.811900       1.309600    
 H    4.295900      -1.707500       1.002100    
 H   3.0000001E-04  -2.024700      0.4367000    
 H    1.648200       2.879100      0.2936000    
 H    4.461200       1.647100     -0.7732000    
 H   -2.604300       2.507500     -0.7907000    
 H   -1.051600       2.782500     -3.1999999E-03
 H   -1.118900       2.259300      -1.701200    
 H   -4.182900       1.146600      0.3822000    
 H    2.351600      -2.916900     -0.6837000    
 H   -4.607800      -1.295400      -1.430300    
 H   -4.327600      0.3592000      -2.008700    
 H   -5.793600     -4.0600002E-02  -1.080200    
 H   -4.517600      -1.609600      0.9637000    


%chk=000126945-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126945

0 1
O 1.738123 -0.622843 -0.936461
O 1.452790 2.415616 1.122497
O 3.599907 1.916520 -0.285537
O 3.128325 -3.009439 -0.442007
O -4.696474 -0.744642 1.185066
N -0.415129 0.025962 -0.148068
N -2.093536 -1.283153 0.599796
C 0.935879 0.501271 -0.414556
C 1.704019 1.019381 0.843753
C 3.187591 0.729448 0.485725
C 3.127705 -0.547517 -0.375496
C 3.366577 -1.848722 0.409306
C -1.612242 0.748229 -0.380412
C -0.762740 -1.185184 0.452334
C -2.629775 -0.083549 0.090696
C -1.646888 2.125935 -0.974743
C -4.136619 0.087816 0.111381
C -4.787059 -0.284020 -1.241615
H 0.883105 1.309031 -1.167622
H 1.388257 0.449869 1.733902
H 3.822750 0.607263 1.384115
H 3.816793 -0.496364 -1.238466
H 2.719121 -1.873509 1.314456
H 4.421769 -1.924809 0.725512
H -0.035310 -1.947088 0.715788
H 2.108321 2.930775 0.573323
H 4.576166 1.924918 -0.432182
H -2.681963 2.504939 -0.956578
H -1.017837 2.833284 -0.403172
H -1.310104 2.141070 -2.029895
H -4.394328 1.134384 0.364500
H 2.248776 -2.880235 -0.885707
H -4.513265 -1.315471 -1.525815
H -4.458587 0.401770 -2.046133
H -5.885281 -0.224033 -1.148672
H -4.028037 -1.470605 1.342985


