%chk=000112168.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112168

0 1
 O    1.229400      -2.081900     -0.3252000    
 O    1.796600      -1.211400       1.731900    
 O    5.112600       1.787900     -0.2133000    
 O   -4.448400       2.517000       1.373100    
 O   -3.811800      -1.932200     -0.5774000    
 N    3.128900      0.8409000      0.6151000    
 N   -2.598300       1.700200      0.1752000    
 N   -1.538000      -2.504400     -0.7294000    
 C    1.473000      0.7000000      -1.187200    
 C   0.3341000       1.364400     -0.4010000    
 C    2.462700     -7.7699997E-02 -0.3145000    
 C  -0.6797000       2.087400      -1.297400    
 C   -1.852700       2.723700     -0.5587000    
 C    1.811900      -1.169600      0.5086000    
 C   0.5527000      -3.165000      0.3206000    
 C  -0.8964000      -2.782300      0.5586000    
 C    4.118900       1.312100      0.1989000    
 C   -3.522200       2.109700      0.7731000    
 C   -2.673300      -2.218900     -0.6510000    
 H    2.007200       1.470300      -1.757500    
 H    1.033500      1.7500000E-02  -1.925700    
 H  -0.1909000      0.6025000      0.1860000    
 H   0.7486000       2.085500      0.3135000    
 H    3.200000     -0.5811000     -0.9588000    
 H  -0.1596000       2.866500      -1.867900    
 H   -1.072600       1.370300      -2.029600    
 H   -1.470500       3.490700      0.1282000    
 H   -2.501400       3.222500      -1.291100    
 H   0.6128000      -4.026200     -0.3540000    
 H    1.049200      -3.453600       1.254200    
 H  -0.9439000      -1.892000       1.199600    
 H   -1.404000      -3.607000       1.075200    


%chk=000112168-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000112168

0 1
O 1.077808 -2.133265 -0.381739
O 2.036423 -1.055257 1.455355
O 4.470379 1.578925 1.705929
O -4.033966 1.422868 2.193649
O -2.454352 -1.152156 -2.042583
N 3.312465 0.774206 -0.279314
N -2.422940 1.935469 0.439652
N -1.863728 -2.367713 -0.014594
C 1.221969 0.548955 -1.600183
C 0.311375 1.384857 -0.679150
C 2.384619 -0.172763 -0.850825
C -0.841279 2.055922 -1.455230
C -1.811395 2.825240 -0.534135
C 1.838636 -1.133801 0.225813
C 0.441156 -3.129512 0.527501
C -0.912050 -2.611594 1.048040
C 3.847753 1.109810 0.772332
C -3.254902 1.749439 1.310052
C -2.093738 -1.721602 -1.024641
H 1.684754 1.197199 -2.367778
H 0.632043 -0.222331 -2.128582
H -0.129127 0.742118 0.109060
H 0.913145 2.155840 -0.158366
H 2.920708 -0.792843 -1.596116
H -0.435243 2.775701 -2.193619
H -1.411272 1.291590 -2.016223
H -1.264652 3.626532 0.003242
H -2.602583 3.306642 -1.141656
H 0.316899 -4.022828 -0.102582
H 1.114759 -3.330358 1.378920
H -0.755303 -1.691944 1.643532
H -1.329957 -3.377546 1.726338


