%chk=000091584.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091584

0 1
 O    3.346300      0.6588000     -0.7856000    
 O    2.679600      -2.589600      0.4877000    
 O    3.480500       1.403600       1.406500    
 N    2.529600     -0.4007000     -0.3174000    
 C   -1.635800     -6.6000000E-02 -9.0599999E-02
 C    1.108400     -0.2860000     -0.2391000    
 C   -3.075900      4.9800001E-02 -1.2400000E-02
 C  -0.9520000     -0.8852000      0.8078000    
 C  -0.9310000      0.6418000      -1.064300    
 C   0.4363000     -0.9965000      0.7327000    
 C   0.4574000      0.5304000      -1.139500    
 C   -3.886600     -0.8240000     -0.7368000    
 C   -3.653300       1.036900      0.7863000    
 C   -5.274900     -0.7107000     -0.6625000    
 C   -5.041600       1.150000      0.8607000    
 C    3.198800      -1.557500      6.0500000E-02
 C   -5.852400      0.2763000      0.1364000    
 C    4.705300      -1.516400     -8.3600000E-02
 C    3.753500       1.499900      0.2175000    
 C    4.607800       2.585000     -0.3641000    
 H   -1.485400      -1.432100       1.582000    
 H   -1.448500       1.284000      -1.773200    
 H   0.9235000      -1.591400       1.496100    
 H   0.9929000       1.082900      -1.905700    
 H   -3.452900      -1.598900      -1.364600    
 H   -3.035900       1.726500       1.357200    
 H   -5.906300      -1.390800      -1.226600    
 H   -5.491400       1.918500       1.482500    
 H   -6.933400      0.3644000      0.1943000    
 H    5.108100      -2.525600      4.8900001E-02
 H    5.139800     -0.8710000      0.6835000    
 H    4.993900      -1.170800      -1.079900    
 H    4.929100       3.260300      0.4341000    
 H    5.495200       2.148400     -0.8293000    
 H    4.032000       3.158800      -1.094500    


%chk=000091584-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000091584

0 1
O 3.344964 0.624389 -0.695438
O 2.904251 -2.839878 0.212443
O 3.581749 1.137713 1.605312
N 2.636744 -0.588706 -0.293415
C -1.629259 -0.092876 -0.098199
C 1.211790 -0.441724 -0.222865
C -3.106599 0.086213 -0.030548
C -0.993058 -1.224703 0.479949
C -0.796855 0.858600 -0.746740
C 0.400668 -1.410652 0.427869
C 0.598034 0.692514 -0.816591
C -3.980630 -1.036772 -0.039272
C -3.686232 1.383692 0.044904
C -5.379984 -0.869673 0.027114
C -5.085670 1.552645 0.108154
C 3.434971 -1.732253 -0.084497
C -5.941373 0.426515 0.100442
C 4.935222 -1.542471 -0.241839
C 3.736831 1.468660 0.425209
C 4.322074 2.740624 -0.137115
H -1.594803 -1.967495 1.015350
H -1.248479 1.725423 -1.241662
H 0.861829 -2.290483 0.876270
H 1.207329 1.425681 -1.351054
H -3.562598 -2.045740 -0.129802
H -3.035528 2.264658 0.087927
H -6.032863 -1.749691 0.011296
H -5.508269 2.561614 0.174794
H -7.028013 0.556820 0.151095
H 5.400466 -2.537479 -0.186737
H 5.340219 -0.918251 0.575327
H 5.191622 -1.061162 -1.200445
H 5.133431 3.094181 0.518075
H 4.691366 2.594108 -1.163238
H 3.537355 3.519058 -0.157074


