%chk=000178666.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178666

0 1
 O  -0.2207000      -2.805200     -0.5895000    
 O    5.226600      0.8153000       1.599200    
 O   -5.237600      -1.537700      0.9476000    
 O    5.841200     -0.8761000     -2.7999999E-03
 O   -5.955100      0.6372000      0.1994000    
 N   3.6200002E-02   1.669700     -0.9079000    
 C  -0.4363000     -0.5101000      0.1656000    
 C   0.4519000      0.7644000      0.1887000    
 C  -0.1478000      -1.446900      -1.042700    
 C   -1.913200     -0.1520000      0.1856000    
 C    1.899200      0.2989000      0.1215000    
 C    1.205200      -1.242200      -1.739400    
 C    2.260900     -0.7047000     -0.8117000    
 C   -1.327300       2.179300     -0.6520000    
 C   -2.335100       1.123700     -0.2602000    
 C    2.868600      0.8508000      0.9735000    
 C   -2.861000      -1.100200      0.6078000    
 C   0.9395000       2.810400      -1.090400    
 C    3.590100      -1.138500     -0.9066000    
 C   -3.702000       1.448600     -0.2708000    
 C    4.164500      0.3918000      0.8609000    
 C   -4.193800     -0.7474000      0.5763000    
 C    4.514900     -0.5740000     -5.2800000E-02
 C   -4.602900      0.4920000      0.1479000    
 C    6.285400      6.6999998E-03   1.047400    
 C   -6.351200     -0.6538000      0.7056000    
 H  -0.2340000      -1.057500       1.099400    
 H   0.3027000       1.274400       1.152700    
 H  -0.9275000      -1.356700      -1.809300    
 H    1.091200     -0.5167000      -2.554800    
 H    1.540400      -2.184900      -2.188800    
 H   -1.685900       2.672700      -1.564400    
 H   -1.309100       2.927200      0.1529000    
 H    2.611800       1.618000       1.696200    
 H   -2.557100      -2.084800      0.9476000    
 H   0.5584000       3.481100      -1.869500    
 H    1.925900       2.484700      -1.436200    
 H    1.063200       3.391700     -0.1696000    
 H    3.886600      -1.892500      -1.627900    
 H   -4.041900       2.427600     -0.5929000    
 H   0.5037000      -2.945000      4.4199999E-02
 H    6.722100     -0.5964000       1.851700    
 H    7.059700      0.6696000      0.6445000    
 H   -6.896100     -0.5103000       1.645700    
 H   -7.022100      -1.125400     -2.1700000E-02


%chk=000178666-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178666

0 1
O 0.183187 -2.874152 -0.203793
O 5.359848 0.717501 1.594172
O -5.389254 -1.549185 0.824617
O 5.912139 -0.884032 -0.113078
O -6.076956 0.636056 0.091574
N 0.022910 1.666837 -0.851870
C -0.467425 -0.497507 0.278963
C 0.449391 0.762675 0.265016
C -0.097102 -1.561853 -0.828952
C -1.944438 -0.124417 0.217333
C 1.904709 0.330457 0.142118
C 1.085227 -1.122021 -1.726833
C 2.230427 -0.618620 -0.868065
C -1.326416 2.218901 -0.589163
C -2.352938 1.160124 -0.219287
C 2.901319 0.834833 1.021685
C -2.913942 -1.107909 0.587095
C 0.973915 2.761480 -1.140612
C 3.564591 -1.087071 -1.023206
C -3.736551 1.501404 -0.291047
C 4.206045 0.368996 0.845475
C -4.257463 -0.752943 0.507701
C 4.530524 -0.569129 -0.155666
C -4.662168 0.529282 0.078766
C 6.477836 -0.051543 0.983789
C -6.571192 -0.691304 0.548250
H -0.284984 -1.009250 1.244618
H 0.321069 1.293908 1.244926
H -0.979544 -1.768067 -1.453507
H 0.723725 -0.305954 -2.379964
H 1.389094 -1.974778 -2.359333
H -1.659600 2.756894 -1.497306
H -1.287414 2.982419 0.236343
H 2.655814 1.559878 1.802739
H -2.601492 -2.104581 0.912456
H 0.588464 3.358774 -1.986425
H 1.954776 2.350705 -1.427223
H 1.125939 3.451871 -0.272368
H 3.823697 -1.821333 -1.791013
H -4.060516 2.490804 -0.627758
H 1.062541 -2.813768 0.253500
H 6.916960 -0.715575 1.747819
H 7.210251 0.655600 0.556415
H -7.145348 -0.557992 1.481424
H -7.167453 -1.149614 -0.260324


