%chk=000016573.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016573

0 1
 O   0.2795000       2.693200     -0.1741000    
 O   -2.259500       3.561600     -0.1902000    
 O    4.419500      0.8406000      0.7918000    
 O    4.809300      -1.808800      6.1299998E-02
 N   -2.433200      -2.857800     -0.2246000    
 C   -1.265500      -2.032600      0.1808000    
 C   -1.523800     -0.5276000      5.2600000E-02
 C  -6.0000001E-03  -2.392500     -0.6395000    
 C   -2.844200     -3.8699999E-02  1.1900000E-02
 C   -3.643800      -2.385200      0.4661000    
 C  -0.4247000      0.3690000      4.1000001E-02
 C   -4.011700     -0.9853000     -1.7000001E-02
 C    1.170400      -1.523200     -0.2548000    
 C   0.9547000     -0.1685000      7.8000002E-02
 C  -0.6974000       1.746500     -3.9999999E-02
 C   -3.075600       1.337600     -7.0500001E-02
 C   -2.238000      -4.280700      7.3799998E-02
 C   -2.006900       2.225200     -9.3000002E-02
 C    2.467300      -2.059300     -0.2719000    
 C    2.075200      0.6038000      0.4333000    
 C    3.362700      5.9200000E-02  0.4310000    
 C    3.559200      -1.269400      7.2999999E-02
 C   0.6541000       3.047700      -1.501500    
 C   -2.398200       4.284200       1.030900    
 C    5.076800       1.561200     -0.2483000    
 H   -1.056700      -2.212200       1.247000    
 H  -0.1899000      -2.266900      -1.714800    
 H   0.2696000      -3.438900     -0.4694000    
 H   -3.498400      -2.388900       1.555100    
 H   -4.494100      -3.045100      0.2524000    
 H   -4.822300     -0.5976000      0.6118000    
 H   -4.385000      -1.037600      -1.047800    
 H   -4.093800       1.715800     -0.1254000    
 H   -2.002800      -4.453400       1.130100    
 H   -1.442800      -4.713400     -0.5401000    
 H   -3.140000      -4.853400     -0.1724000    
 H    2.623400      -3.099000     -0.5503000    
 H    1.987700       1.626400      0.7835000    
 H   0.9026000       2.160500      -2.093000    
 H    1.539600       3.687100      -1.447100    
 H  -0.1482000       3.608100      -1.991000    
 H    5.440000      -1.135800      0.3698000    
 H   -3.245300       3.901300       1.608800    
 H   -2.586000       5.333800      0.7886000    
 H   -1.480000       4.221000       1.623400    
 H    4.391000       2.282600     -0.7041000    
 H    5.463300      0.8783000      -1.011400    
 H    5.916700       2.106600      0.1905000    


%chk=000016573-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000016573

0 1
O 0.384023 2.636123 -0.422251
O -2.292813 3.565444 -0.366719
O 4.637274 0.515147 0.408985
O 4.826866 -2.036086 -0.387012
N -2.433691 -2.938532 -0.020765
C -1.223298 -2.090570 0.151481
C -1.521392 -0.591106 0.008106
C -0.113996 -2.453200 -0.862934
C -2.848265 -0.099204 0.003331
C -3.591767 -2.393511 0.729673
C -0.403101 0.302384 -0.122872
C -4.022606 -1.057363 0.112823
C 1.126921 -1.634836 -0.555683
C 0.972103 -0.269939 -0.164127
C -0.672036 1.697038 -0.250942
C -3.082128 1.292316 -0.095762
C -2.185980 -4.352821 0.333590
C -2.006508 2.186270 -0.211947
C 2.412932 -2.214181 -0.630086
C 2.134662 0.482629 0.176077
C 3.403790 -0.107923 0.101765
C 3.554701 -1.460376 -0.313012
C 0.470181 3.172775 -1.801251
C -1.792551 4.432466 0.723319
C 4.592807 1.905631 0.862043
H -0.794195 -2.248645 1.181446
H -0.499882 -2.243598 -1.881098
H 0.132107 -3.527311 -0.818369
H -3.351979 -2.253314 1.815757
H -4.419300 -3.123567 0.666386
H -4.831993 -0.601953 0.715033
H -4.435117 -1.253602 -0.896153
H -4.100053 1.696045 -0.082210
H -1.837848 -4.485307 1.389694
H -1.430711 -4.799881 -0.333163
H -3.120926 -4.925755 0.205381
H 2.541574 -3.259324 -0.928493
H 2.014554 1.523197 0.479235
H 0.707099 2.358372 -2.511065
H 1.289183 3.909111 -1.785816
H -0.480125 3.662367 -2.080275
H 5.491725 -1.349989 -0.110626
H -2.282141 4.163386 1.679167
H -2.074696 5.457097 0.435595
H -0.696096 4.345034 0.821716
H 4.014775 1.996969 1.801185
H 4.146339 2.559348 0.088576
H 5.640377 2.192248 1.036564


