%chk=000100248.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100248

0 1
 O   -4.286100       1.997000     -0.7060000    
 O   -5.618100     -0.3655000     -0.1081000    
 O    5.098900     -0.1427000      -1.821600    
 O    6.284300      0.3745000      0.6389000    
 N   0.6659000      -1.239900      0.6556000    
 C   -1.467800     -0.1793000      0.1687000    
 C  -7.5800002E-02 -0.1741000      0.2786000    
 C   0.7217000       1.055000     -2.3900000E-02
 C   -2.140200      -1.381000      0.4731000    
 C    2.214100      0.8721000      0.1502000    
 C   -2.202000      0.9508000     -0.2273000    
 C   -3.540400      -1.424600      0.3738000    
 C   -3.592200      0.8898000     -0.3203000    
 C   -1.390400      -2.496000      0.8655000    
 C   -4.259900     -0.2953000     -2.0600000E-02
 C    2.972200      0.4453000     -0.9261000    
 C    2.787200       1.134600       1.382100    
 C  -1.1400000E-02  -2.372800      0.9391000    
 C    4.347300      0.2760000     -0.7653000    
 C    4.162300      0.9651000       1.543000    
 C    4.942400      0.5358000      0.4693000    
 C   -4.713500       2.885500      0.3245000    
 C   -6.166600     -0.7604000      -1.363700    
 C    5.268300      -1.550100      -1.979100    
 H   0.3951000       1.877200      0.6265000    
 H   0.5299000       1.375600      -1.056500    
 H   -1.713500       1.891300     -0.4697000    
 H   -4.076300      -2.343200      0.6056000    
 H   -1.864400      -3.441800       1.109400    
 H    2.510600      0.2411000      -1.888400    
 H    2.187600       1.467200       2.224400    
 H   0.6042000      -3.214500       1.239200    
 H    4.619600       1.168700       2.507400    
 H   -5.384600       2.373400       1.021200    
 H   -5.256800       3.712800     -0.1401000    
 H   -3.851000       3.291400      0.8628000    
 H   -7.256500     -0.7621000      -1.276100    
 H   -5.834900      -1.769800      -1.626700    
 H   -5.880000     -5.3900000E-02  -2.149100    
 H    6.674300      0.1126000     -0.2128000    
 H    4.303300      -2.031500      -2.167100    
 H    5.738700      -1.987000      -1.092500    
 H    5.918800      -1.722400      -2.840900    


%chk=000100248-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100248

0 1
O -4.216367 2.026708 -0.563599
O -5.664173 -0.446066 -0.024817
O 5.556327 -0.803905 -0.995973
O 6.533525 0.910745 0.807883
N 0.733496 -1.506210 0.430809
C -1.395411 -0.339771 0.095069
C 0.055729 -0.376747 0.142543
C 0.850355 0.899828 -0.159146
C -2.122531 -1.557277 0.392617
C 2.346317 0.868572 0.111256
C -2.141536 0.842723 -0.213505
C -3.551484 -1.556089 0.333824
C -3.536219 0.830812 -0.242000
C -1.367314 -2.732477 0.710775
C -4.254711 -0.398604 0.003759
C 3.202527 -0.006293 -0.609363
C 2.915125 1.751560 1.058319
C 0.023823 -2.660905 0.710607
C 4.585457 0.013132 -0.369266
C 4.310376 1.775073 1.299800
C 5.150394 0.906657 0.585889
C -5.067949 2.566165 0.525781
C -6.275958 -0.144333 -1.343002
C 5.080624 -1.801004 -1.953946
H 0.406512 1.728121 0.426083
H 0.664375 1.160983 -1.223854
H -1.641434 1.791985 -0.423179
H -4.115335 -2.473965 0.531007
H -1.878556 -3.672312 0.944065
H 2.767388 -0.712510 -1.321210
H 2.266141 2.431624 1.622453
H 0.636839 -3.538935 0.941393
H 4.753833 2.455046 2.032945
H -5.821922 1.823658 0.842835
H -5.555221 3.456595 0.101048
H -4.437666 2.855756 1.387538
H -7.362340 -0.165393 -1.170179
H -5.994871 -0.925732 -2.073762
H -5.958179 0.847599 -1.709942
H 6.940768 0.221547 0.218225
H 4.591441 -1.316115 -2.820773
H 4.373363 -2.503983 -1.473899
H 5.978743 -2.341364 -2.288108


