%chk=000114096.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114096

0 1
 O  -0.2680000       2.152500      0.5085000    
 O  -0.8889000      -2.450100      0.3019000    
 O   -5.022800      0.5651000      -1.437400    
 O   -4.856600      0.3580000      0.8176000    
 N  -0.6069000     -0.1522000      0.4298000    
 N    1.240700      -1.598000     -7.8999996E-03
 C    2.112100     -0.4716000     -7.9200000E-02
 C   -2.030200      1.2500000E-02  0.7138000    
 C    1.604100      0.8158000      0.1003000    
 C   0.1700000       1.013200      0.3642000    
 C  -0.1363000      -1.471000      0.2455000    
 C   -2.852600      0.1756000     -0.5577000    
 C    3.489100     -0.6095000     -0.3297000    
 C    2.443900       1.938700      3.3300001E-02
 C    1.800100      -2.935200     -0.2055000    
 C    4.326900      0.5072000     -0.3967000    
 C    3.804300       1.781300     -0.2151000    
 C   -4.328900      0.3676000     -0.2857000    
 H   -2.393800     -0.8510000       1.283900    
 H   -2.172500      0.8874000       1.360100    
 H   -2.738400     -0.7105000      -1.192400    
 H   -2.496800       1.047400      -1.118900    
 H    3.949100      -1.582300     -0.4790000    
 H    2.055800       2.944400      0.1724000    
 H    2.552300      -3.133100      0.5646000    
 H    2.241900      -3.001500      -1.204800    
 H    1.032200      -3.709900     -0.1284000    
 H    5.387600      0.3774000     -0.5911000    
 H    4.453500       2.650100     -0.2668000    
 H   -5.980700      0.6938000      -1.269200    


%chk=000114096-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114096

0 1
O -0.319363 2.235104 0.524805
O -0.922873 -2.391028 0.231019
O -5.085875 0.405948 -1.454360
O -4.884063 0.352110 0.858732
N -0.594169 -0.085767 0.434405
N 1.252003 -1.553061 -0.033042
C 2.140591 -0.458135 -0.079521
C -2.041544 0.070185 0.733663
C 1.638125 0.863037 0.112211
C 0.202493 1.092436 0.367468
C -0.130922 -1.404966 0.210813
C -2.869913 0.132109 -0.564591
C 3.530433 -0.640158 -0.321390
C 2.515727 1.973592 0.059303
C 1.748039 -2.926862 -0.253889
C 4.387180 0.475657 -0.367710
C 3.888084 1.789771 -0.178510
C -4.344365 0.303528 -0.268267
H -2.360346 -0.784891 1.348255
H -2.156703 1.002210 1.307083
H -2.739239 -0.795611 -1.151676
H -2.541926 0.972603 -1.203292
H 3.943272 -1.640442 -0.471566
H 2.081970 2.967199 0.211562
H 2.489089 -3.200683 0.517741
H 2.206988 -3.018204 -1.254233
H 0.886670 -3.606144 -0.185857
H 5.455472 0.319222 -0.553545
H 4.564980 2.648475 -0.217059
H -6.049617 0.514864 -1.228152


