%chk=000027402.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027402

0 1
 O   -1.387500       2.043000      0.5014000    
 O    2.523200      -1.826300      0.1236000    
 N   -4.096300      -1.795600     -0.3605000    
 C   -2.178600     -0.6941000      0.7041000    
 C  -0.7452000     -0.2657000      0.4998000    
 C   -2.948100     -0.9191000     -0.6103000    
 C    1.896800      0.4872000      0.1236000    
 C  -0.4275000       1.080700      0.4097000    
 C   0.2342000      -1.242800      0.4052000    
 C    1.563200     -0.8640000      0.2159000    
 C   0.9015000       1.459500      0.2205000    
 C    3.313800      0.9110000     -8.0499999E-02
 C   -3.462300      0.3854000      -1.219300    
 C    3.677200       1.024200      -1.558200    
 C  -0.9580000       3.398900      0.3963000    
 C    2.093700      -3.182200      0.2287000    
 H   -2.162900      -1.625100       1.289400    
 H   -2.706000      2.1900000E-02   1.348500    
 H   -2.303100      -1.419000      -1.343200    
 H  -8.7099999E-02  -2.275800      0.4801000    
 H    1.220100       2.493300      0.1381000    
 H    3.488100       1.878400      0.4078000    
 H    4.000300      0.2133000      0.4144000    
 H   -2.634700       1.012600      -1.563100    
 H   -4.058700      0.9604000     -0.5024000    
 H   -4.090600      0.1885000      -2.096000    
 H   -3.770200      -2.697700     -1.5699999E-02
 H   -4.582200      -1.983700      -1.236600    
 H    3.558700      6.3500002E-02  -2.070500    
 H    4.719100       1.341400      -1.667600    
 H    3.043200       1.757900      -2.067400    
 H   -1.850200       4.026500      0.4920000    
 H  -0.5265000       3.610800     -0.5880000    
 H  -0.2871000       3.675500       1.216700    
 H    1.660500      -3.394200       1.212100    
 H    2.986000      -3.810100      0.1341000    
 H    1.423800      -3.458800     -0.5926000    


%chk=000027402-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000027402

0 1
O -1.484695 2.113508 0.720603
O 2.570158 -1.740066 -0.036633
N -4.323496 -1.586175 -0.230160
C -2.283851 -0.609792 0.743376
C -0.836446 -0.192867 0.547204
C -2.980823 -1.069063 -0.573798
C 1.912209 0.559488 0.128052
C -0.447711 1.173957 0.524928
C 0.172320 -1.168722 0.361429
C 1.523347 -0.807934 0.153284
C 0.907592 1.534216 0.321769
C 3.357182 0.956168 -0.126979
C -3.131234 0.083905 -1.584548
C 3.746957 0.846992 -1.625963
C -1.119906 3.527882 0.742482
C 2.229339 -3.158545 0.041588
H -2.325765 -1.455086 1.461840
H -2.875797 0.217258 1.168164
H -2.325139 -1.848495 -1.039762
H -0.124521 -2.222774 0.393077
H 1.208355 2.587230 0.310626
H 3.519857 1.994005 0.221530
H 4.028649 0.300912 0.458198
H -2.145476 0.506308 -1.844141
H -3.754314 0.884425 -1.149057
H -3.611259 -0.269398 -2.518255
H -4.321349 -2.363034 0.439040
H -4.923386 -1.771106 -1.040269
H 3.621233 -0.191626 -1.976952
H 4.802372 1.139426 -1.779697
H 3.111726 1.502895 -2.248906
H -2.063559 4.066401 0.916991
H -0.681908 3.850708 -0.222990
H -0.407412 3.751244 1.561419
H 1.808737 -3.420602 1.032798
H 3.178752 -3.693996 -0.110062
H 1.509859 -3.447948 -0.750128


