%chk=000139369.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139369

0 1
 O    4.410300      -1.567300     -0.1891000    
 O   -1.159600       1.990700      0.2056000    
 N  -0.1676000     -0.1220000     -3.4699999E-02
 C    1.217000      0.1748000      7.9999998E-04
 C   -2.572100      0.1516000      2.1800000E-02
 C    2.132700     -0.8571000     -0.1143000    
 C   -1.252300      0.7604000      6.4900003E-02
 C    1.623100       1.489600      0.1514000    
 C    3.496300     -0.5651000     -7.7699997E-02
 C    3.923100      0.7543000      7.3299997E-02
 C    2.986500       1.781600      0.1880000    
 C   -3.663500      0.8847000     -0.4447000    
 C   -2.747000      -1.165600      0.4465000    
 C   -4.929500      0.3008000     -0.4862000    
 C   -4.013200      -1.749500      0.4048000    
 C   -5.104400      -1.016200     -6.1600000E-02
 C    5.820200      -1.245700     -0.1488000    
 H  -0.3638000      -1.107100     -0.1897000    
 H    1.805000      -1.886800     -0.2315000    
 H   0.9626000       2.338200      0.2462000    
 H    4.968800       1.040900      0.1084000    
 H    3.319500       2.808900      0.3056000    
 H   -3.548300       1.910500     -0.7851000    
 H   -1.936900      -1.763100      0.8535000    
 H   -5.779100      0.8712000     -0.8501000    
 H   -4.151800      -2.772100      0.7435000    
 H   -6.090500      -1.470300     -9.2299998E-02
 H    6.090500     -0.8055000      0.8161000    
 H    6.095400     -0.6004000     -0.9889000    
 H    6.368600      -2.186600     -0.2542000    


%chk=000139369-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000139369

0 1
O 4.369929 -1.609451 -0.179364
O -1.195045 2.072916 0.074885
N -0.149958 -0.029282 -0.045875
C 1.229476 0.320471 0.002576
C -2.598659 0.094182 0.002462
C 2.161756 -0.739970 -0.105847
C -1.267153 0.806025 0.021198
C 1.687908 1.659460 0.155348
C 3.548492 -0.475115 -0.061718
C 4.022556 0.851210 0.092628
C 3.075524 1.896012 0.198467
C -3.726706 0.844629 -0.418213
C -2.779134 -1.253338 0.414755
C -5.006174 0.253906 -0.454228
C -4.062078 -1.843066 0.382955
C -5.177276 -1.094166 -0.058519
C 5.818555 -1.397619 -0.142220
H -0.338839 -1.023572 -0.188720
H 1.836574 -1.780288 -0.224169
H 0.965155 2.472197 0.229205
H 5.092076 1.075402 0.129385
H 3.432222 2.925395 0.316144
H -3.572295 1.890286 -0.703400
H -1.940310 -1.842059 0.807348
H -5.868888 0.841190 -0.786956
H -4.193296 -2.879320 0.713094
H -6.171619 -1.553550 -0.083094
H 6.136201 -0.952404 0.820708
H 6.153025 -0.752043 -0.977516
H 6.257984 -2.400238 -0.249817


