%chk=000128874.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128874

0 1
 O    2.248100     -0.2771000       1.814500    
 O    1.852900       2.488500       1.411000    
 O    3.693400     -1.3600000E-02  -1.541300    
 O    3.969600      -2.742300      -1.138800    
 O   -1.761100     -0.8900000       2.360500    
 N  -0.1386000      0.4970000      0.7555000    
 N   -1.096900       1.195500      -1.789500    
 N   -3.158600      8.4700003E-02  -1.256100    
 N   -3.493300     -0.9739000      0.8516000    
 N   -5.151700     -0.9604000     -0.8063000    
 C    2.843300      0.3723000      0.6880000    
 C    1.978600       1.593100      0.3085000    
 C    3.019000     -0.6473000     -0.4529000    
 C   0.5843000       1.188100     -0.1266000    
 C    3.831300      -1.867900     -2.3200000E-02
 C   0.1388000       1.538100      -1.367500    
 C   -1.370800      0.1600000      0.3240000    
 C   -1.863200      0.4941000     -0.9271000    
 C   -2.222200     -0.6092000       1.258500    
 C   -3.902900     -0.6296000     -0.3429000    
 H    3.827600      0.7335000       1.012000    
 H    2.474100       2.149000     -0.4965000    
 H    2.047500     -0.9937000     -0.8236000    
 H    4.840400      -1.577400      0.2856000    
 H    3.354600      -2.418100      0.7932000    
 H   0.7342000       2.098900      -2.077200    
 H    2.156500      0.3872000       2.518700    
 H    2.750800       2.738700       1.688100    
 H    3.796800     -0.6763000      -2.245400    
 H   -3.517100      0.3293000      -2.170500    
 H    3.076900      -3.025100      -1.401200    
 H   -5.461300     -0.6889000      -1.733100    
 H   -5.801900      -1.486400     -0.2325000    


%chk=000128874-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128874

0 1
O 2.327791 0.129764 1.933401
O 2.053500 2.758166 0.980909
O 3.341050 -0.282288 -1.637456
O 4.207016 -2.831683 -0.809301
O -1.368862 -1.691545 1.878114
N 0.046456 0.330065 0.417833
N -1.337503 1.599418 -1.712957
N -3.269902 0.363691 -1.145225
N -3.319142 -1.255907 0.648292
N -5.237744 -0.831975 -0.605416
C 2.900120 0.482190 0.621622
C 2.093039 1.652301 0.003395
C 2.996959 -0.756142 -0.287510
C 0.667625 1.266584 -0.361385
C 4.064910 -1.751040 0.194040
C -0.037149 1.882283 -1.435026
C -1.249998 0.012217 0.158586
C -1.931008 0.674169 -0.905527
C -1.959536 -1.043151 0.972518
C -3.910985 -0.587410 -0.338620
H 3.913089 0.863740 0.843408
H 2.617494 2.043577 -0.881125
H 2.009131 -1.269506 -0.312890
H 5.055324 -1.265907 0.217507
H 3.817622 -2.141986 1.198580
H 0.456914 2.615272 -2.079023
H 1.368474 -0.131241 1.754902
H 1.970040 2.320428 1.875523
H 3.711355 -1.070559 -2.120055
H -3.731343 0.856754 -1.915164
H 3.475806 -3.488838 -0.687434
H -5.767231 -0.354889 -1.330554
H -5.694213 -1.525752 -0.016464


