%chk=000047894.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047894

0 1
 O  -0.9889000      7.5000003E-02  -1.031800    
 O   -5.042400      -3.130000      6.8899997E-02
 O   -5.486200       2.975700      0.2925000    
 O   -4.402000      -1.755400      -1.623000    
 O   -4.340200       2.058400      -1.441700    
 N   -3.448700      5.3700000E-02  0.2136000    
 N   4.5200001E-02  0.3133000       1.067600    
 C    5.506800     -0.8842000      5.0000002E-04
 C    6.296300      0.3684000     -0.3858000    
 C    4.060500     -0.5667000      0.2823000    
 C    7.752400      2.9100001E-02 -0.7042000    
 C   -2.325300      0.6994000      0.8775000    
 C    1.383800      1.9800000E-02  0.8055000    
 C    3.122600     -0.6092000     -0.7494000    
 C    3.659900     -0.2308000       1.575500    
 C   -3.528200      -1.360100      0.5885000    
 C   -4.703700      0.7347000      0.5397000    
 C   -1.035500      0.3234000      0.1688000    
 C    1.784300     -0.3160000     -0.4878000    
 C    2.321700      6.2500000E-02   1.837100    
 C    8.532500       1.263200      -1.128200    
 C   -4.342800      -2.086900     -0.4457000    
 C   -4.822200       1.962800     -0.3201000    
 H    5.565600      -1.630800     -0.8019000    
 H    5.957300      -1.357200      0.8825000    
 H    6.258900       1.101000      0.4303000    
 H    5.832900      0.8453000      -1.259000    
 H    8.231400     -0.4165000      0.1753000    
 H    7.794500     -0.7145000      -1.508600    
 H   -2.288600      0.4479000       1.944600    
 H   -2.384300       1.792900      0.8027000    
 H    3.424200     -0.8681000      -1.761000    
 H    4.381800     -0.1927000       2.386900    
 H   -3.969400      -1.487600       1.584400    
 H   -2.544900      -1.845200      0.5881000    
 H   -4.752800       1.002500       1.602100    
 H   -5.584600      0.1252000      0.3052000    
 H    1.118700     -0.3704000      -1.337600    
 H    2.023900      0.3231000       2.849600    
 H  -0.1586000      0.5531000       2.035500    
 H    8.098100       1.712600      -2.027000    
 H    9.571000      0.9978000      -1.349400    
 H    8.536100       2.016800     -0.3342000    
 H   -5.582500      -3.580900     -0.6146000    
 H   -5.538000       3.774700     -0.2742000    


%chk=000047894-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047894

0 1
O -0.688065 -2.677913 2.101524
O -3.138248 -0.871310 -2.932769
O -4.069964 3.103136 1.081557
O -3.041519 1.091273 -1.692252
O -1.992473 2.079531 1.139870
N -3.252787 -0.477055 0.747299
N -0.472357 -0.456074 1.320056
C 5.224231 0.373863 0.591134
C 5.625782 0.176717 -0.897456
C 3.739190 0.148613 0.831399
C 7.133834 0.399753 -1.151771
C -2.715730 -1.326370 1.817660
C 0.935796 -0.305727 1.178065
C 3.241752 -1.113606 1.242660
C 2.796398 1.185582 0.604100
C -3.382011 -1.103788 -0.563048
C -4.059130 0.691345 1.059288
C -1.179551 -1.559884 1.748633
C 1.862440 -1.354772 1.419383
C 1.415593 0.970098 0.772787
C 7.524903 0.207831 -2.632915
C -3.159132 -0.151256 -1.734747
C -3.238902 1.989953 1.080163
H 5.819474 -0.323699 1.212995
H 5.510412 1.399604 0.899818
H 5.035717 0.872772 -1.527855
H 5.341235 -0.846509 -1.216302
H 7.412720 1.422063 -0.822861
H 7.717991 -0.299796 -0.519117
H -3.172080 -2.337986 1.834548
H -2.938991 -0.855140 2.793841
H 3.949548 -1.930182 1.434345
H 3.149970 2.177538 0.295502
H -4.374198 -1.589914 -0.731283
H -2.633355 -1.911499 -0.654273
H -4.544591 0.600857 2.053982
H -4.877916 0.833929 0.331283
H 1.493201 -2.329454 1.744715
H 0.701602 1.784424 0.600704
H -1.044182 0.382055 1.105455
H 7.281747 -0.815310 -2.976765
H 8.607083 0.370073 -2.791337
H 6.977401 0.917297 -3.281837
H -3.006232 -0.248524 -3.698087
H -3.526011 3.936564 1.101908


