%chk=000037731.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037731

0 1
 O    2.793200      -2.679300       1.184600    
 O    4.541500      -1.874200     -0.8086000    
 O    1.150700       4.355800      -1.328200    
 O   -2.604600      -2.084800      -1.286400    
 O   -5.173000      -1.285400     -0.5859000    
 N   0.2781000       2.796600      0.1850000    
 C   0.3759000       1.521100      0.7805000    
 C    1.382900      0.6801000      0.4284000    
 C  -0.6907000       1.176000       1.800700    
 C    2.368500       1.117600     -0.5818000    
 C   -1.877300      0.5205000       1.166100    
 C    1.571100     -0.6671000      0.9917000    
 C    1.186700       3.255700     -0.7766000    
 C    2.277400       2.326600      -1.148600    
 C    3.456700      0.2191000     -0.9669000    
 C    2.595000      -1.446300      0.5950000    
 C  -0.8200000       3.677400      0.5896000    
 C    3.556500     -0.9978000     -0.4016000    
 C   -1.690000     -0.4878000      0.2248000    
 C   -3.162000      0.9238000       1.520100    
 C   -2.795900      -1.097900     -0.3670000    
 C   -4.267900      0.3138000      0.9282000    
 C   -4.084900     -0.6971000     -1.5400000E-02
 C    2.145100      -3.696700      0.4470000    
 C    5.691000      -1.750500      5.9000002E-03
 C   -2.530100      -3.422000     -0.7958000    
 C   -5.673800     -0.6972000      -1.784800    
 H  -0.9822000       2.038200       2.408400    
 H  -0.2973000      0.4874000       2.558400    
 H   0.9008000      -1.037700       1.758300    
 H    2.986600       2.675100      -1.893100    
 H    4.164400      0.5380000      -1.726200    
 H  -0.7043000       3.960600       1.639600    
 H   -1.784500       3.202800      0.3987000    
 H  -0.8041000       4.604700      8.1000002E-03
 H  -0.7177000     -0.8406000     -8.5800000E-02
 H   -3.319100       1.709200       2.254400    
 H   -5.269200      0.6304000       1.207600    
 H    2.538800      -3.772200     -0.5723000    
 H    1.061100      -3.538300      0.4186000    
 H    2.330800      -4.651200      0.9489000    
 H    6.438700      -2.465400     -0.3507000    
 H    5.473400      -1.988000       1.052900    
 H    6.124600     -0.7469000     -6.8099998E-02
 H   -3.461500      -3.700300     -0.2928000    
 H   -1.684400      -3.531900     -0.1094000    
 H   -2.378700      -4.091300      -1.647000    
 H   -4.911700     -0.7148000      -2.570400    
 H   -5.999700      0.3314000      -1.600100    
 H   -6.534700      -1.282200      -2.119800    


%chk=000037731-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037731

0 1
O 3.041332 -2.627814 1.259261
O 4.991458 -1.617137 -0.648204
O 0.909556 4.391275 -1.495828
O -2.971479 -1.921967 -1.421654
O -5.552412 -1.109435 -0.282766
N 0.248397 2.721183 0.056744
C 0.430852 1.515708 0.701984
C 1.546933 0.697911 0.377569
C -0.595709 1.108937 1.748716
C 2.498026 1.178091 -0.624056
C -1.896389 0.522377 1.181623
C 1.765648 -0.598139 0.970618
C 1.167172 3.258931 -0.968382
C 2.287091 2.414439 -1.255851
C 3.653221 0.366644 -0.922593
C 2.871381 -1.366364 0.640182
C -0.911473 3.591517 0.364025
C 3.857329 -0.855164 -0.301078
C -1.873711 -0.422221 0.126836
C -3.145420 0.881535 1.748415
C -3.067865 -0.992008 -0.361106
C -4.346558 0.334572 1.248442
C -4.323487 -0.586462 0.180127
C 2.946180 -3.780391 0.330335
C 5.929462 -1.896474 0.466953
C -3.484972 -3.277058 -1.109402
C -5.865907 -0.794839 -1.698025
H -0.847275 1.979533 2.381313
H -0.130767 0.375223 2.429319
H 1.054259 -1.030853 1.679760
H 2.989222 2.788711 -2.005507
H 4.397184 0.723508 -1.642071
H -0.821207 4.026432 1.375929
H -1.853425 3.026410 0.285055
H -0.887818 4.407597 -0.375012
H -0.931572 -0.736562 -0.334577
H -3.181656 1.601067 2.575277
H -5.319230 0.620848 1.661173
H 3.695446 -3.697333 -0.477491
H 1.929273 -3.834577 -0.103145
H 3.139925 -4.671270 0.946960
H 6.705963 -2.546589 0.036675
H 5.412724 -2.403717 1.300657
H 6.382508 -0.951009 0.820113
H -4.543678 -3.239776 -0.795855
H -2.874715 -3.737151 -0.309188
H -3.376151 -3.851257 -2.041801
H -5.071074 -1.161514 -2.372076
H -5.988408 0.297450 -1.823887
H -6.817986 -1.305818 -1.906307


