%chk=000059512.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059512

1 1
 O   -5.181600      0.6932000      0.9090000    
 O   -1.359500     -0.2069000     -0.5076000    
 O    3.619000      0.1590000      0.6160000    
 O  -0.2037000     -0.1069000       1.490000    
 N   -5.028500     -0.4305000     -3.2000002E-02
 C   -3.746000     -0.3821000     -0.7784000    
 C   0.9732000     -3.9500002E-02 -0.6118000    
 C   -2.597000     -0.2908000      0.2064000    
 C    1.690400       1.267100     -0.3919000    
 C    1.867800      -1.227500     -0.3710000    
 C   -5.068700      -1.669500      0.8666000    
 C   -6.250500     -0.4700000     -0.9449000    
 C  -0.2410000     -0.1196000      0.2671000    
 C    2.950000       1.291900      0.2160000    
 C    3.117800      -1.063600      0.2351000    
 C    1.099100       2.479000     -0.7790000    
 C    1.454400      -2.517200     -0.7368000    
 C    3.601500       2.506600      0.4481000    
 C    3.934900      -2.169700      0.4855000    
 C    1.752800       3.690800     -0.5532000    
 C    2.273200      -3.620300     -0.4928000    
 C   -5.171900       1.968700      0.2769000    
 C    3.002300       3.704400      6.2399998E-02
 C    3.512000      -3.446500      0.1202000    
 H   -3.664900      -1.289000      -1.390500    
 H   -3.754900      0.4639000      -1.474000    
 H   0.6764000     -6.9499999E-02  -1.669700    
 H   -2.682200      0.5919000      0.8491000    
 H   -2.535600      -1.184500      0.8344000    
 H   -6.090000      -1.778400       1.246000    
 H   -4.792200      -2.544600      0.2717000    
 H   -4.396800      -1.528100       1.716800    
 H   -6.260900      -1.439100      -1.453000    
 H   -7.147400     -0.3444000     -0.3318000    
 H   -6.164900      0.3281000      -1.686400    
 H   0.1221000       2.485000      -1.256200    
 H   0.4884000      -2.669500      -1.212100    
 H    4.578300       2.525300      0.9242000    
 H    4.904300      -2.041900      0.9599000    
 H    1.285700       4.623600     -0.8551000    
 H    1.943300      -4.614700     -0.7786000    
 H   -6.017800       2.091200     -0.4031000    
 H   -4.228100       2.170900     -0.2339000    
 H   -5.279500       2.721500       1.064000    
 H    3.510200       4.647700      0.2402000    
 H    4.148600      -4.305300      0.3120000    


%chk=000059512-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059512

1 1
O -4.576700 -0.725153 1.487182
O -1.497211 -1.168927 -1.439422
O 2.421285 0.968550 0.626422
O -0.774934 -0.932849 0.761727
N -4.637966 0.198961 0.279417
C -3.326949 0.167639 -0.517942
C 0.885773 -0.830983 -1.109348
C -2.880671 -1.254810 -0.919731
C 1.037065 0.667498 -1.405730
C 1.983512 -1.333294 -0.183278
C -5.799859 -0.409882 -0.487023
C -4.966130 1.613458 0.728599
C -0.490542 -0.998126 -0.453003
C 1.755169 1.488629 -0.500766
C 2.659199 -0.429544 0.668032
C 0.437999 1.271997 -2.537382
C 2.316996 -2.705551 -0.102800
C 1.855832 2.883416 -0.696711
C 3.622843 -0.865093 1.599242
C 0.538172 2.662683 -2.752688
C 3.282864 -3.163008 0.817986
C -3.509848 -0.401312 2.486550
C 1.240667 3.468531 -1.821172
C 3.928143 -2.239071 1.676138
H -3.491476 0.804456 -1.404886
H -2.556245 0.635729 0.114277
H 0.869741 -1.400425 -2.055155
H -2.916349 -1.937811 -0.053280
H -3.458486 -1.664824 -1.760772
H -6.708479 -0.298451 0.120724
H -5.904004 0.117598 -1.448039
H -5.594114 -1.476902 -0.643870
H -5.209885 2.214726 -0.162022
H -5.830985 1.566143 1.406043
H -4.096278 2.050566 1.239277
H -0.101192 0.640987 -3.253870
H 1.813067 -3.419697 -0.765789
H 2.430611 3.477420 0.019649
H 4.123308 -0.127556 2.233019
H 0.088894 3.115120 -3.642394
H 3.532755 -4.227170 0.868383
H -3.684071 0.576685 2.965864
H -2.499113 -0.498817 2.055551
H -3.675049 -1.202202 3.225995
H 1.327276 4.547829 -1.983573
H 4.677465 -2.586962 2.394368


