%chk=000100216.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100216

0 1
 O  -0.3342000     -0.2353000      -2.407900    
 O  -0.1813000       1.108100       2.947000    
 O    3.830300      -1.377600       1.517700    
 O   -5.763800     -0.7544000      0.5702000    
 O   -4.464800      -2.550200     -0.3739000    
 O    5.562200     -0.9291000     -0.5770000    
 N  -0.1051000       1.649300      0.6818000    
 C   0.3524000       1.296600     -0.6674000    
 C   -1.081200       2.735600      0.7956000    
 C    1.754900      0.7400000     -0.6500000    
 C   -2.219300       2.612700     -0.2180000    
 C    2.155500     -3.0700000E-02  0.4487000    
 C  -0.6282000      0.3429000      -1.361600    
 C    1.174100     -0.2720000       1.556900    
 C   0.2456000      0.9005000       1.809500    
 C   -2.764700       1.207300     -0.2784000    
 C   -2.002300      0.1398000     -0.8221000    
 C    2.641500      0.9494000      -1.713100    
 C    3.433000     -0.6003000      0.4694000    
 C   -4.055100      0.9514000      0.2142000    
 C   -2.529100      -1.158500     -0.8916000    
 C   -4.541000     -0.3384000      0.1411000    
 C   -3.800200      -1.362600     -0.3977000    
 C    4.313900     -0.3834000     -0.5903000    
 C    3.919400      0.3920000      -1.679200    
 C   -5.708800      -2.157100      0.2404000    
 C    4.193700      -2.723800       1.222700    
 C    6.602700     -0.1522000      1.2900000E-02
 H   0.3713000       2.228400      -1.248100    
 H  -0.5459000       3.679500      0.6430000    
 H   -1.493300       2.757300       1.810400    
 H   -1.883200       2.901400      -1.221900    
 H   -3.008800       3.329100      4.0399998E-02
 H   0.5631000      -1.150700       1.321100    
 H    1.702600     -0.4634000       2.498000    
 H    2.340200       1.541700      -2.572900    
 H   -4.661000       1.743900      0.6416000    
 H   -1.961200      -1.985100      -1.305800    
 H    4.599900      0.5602000      -2.509600    
 H   -6.529100      -2.388200     -0.4488000    
 H   -5.846100      -2.739300       1.158900    
 H    3.708100      -3.097200      0.3142000    
 H    3.872400      -3.349700       2.060600    
 H    5.280500      -2.809000       1.136700    
 H    6.379500      5.7700001E-02   1.063700    
 H    6.739800      0.7844000     -0.5367000    
 H    7.531000     -0.7276000     -3.9000001E-02


%chk=000100216-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100216

0 1
O -0.202528 -1.051282 -1.748216
O 0.055296 1.099173 3.047393
O 4.182065 -1.185582 1.480846
O -6.167046 -0.468951 0.269441
O -5.017283 -2.433619 -0.503631
O 5.824264 -0.598569 -0.848171
N -0.030426 1.493285 0.751744
C 0.319924 1.064000 -0.620494
C -1.004406 2.585305 0.913884
C 1.774458 0.634572 -0.707726
C -2.134727 2.511984 -0.145781
C 2.312145 -0.065513 0.398376
C -0.658553 -0.074318 -1.087848
C 1.415579 -0.337334 1.590169
C 0.430040 0.802607 1.872668
C -2.801476 1.147574 -0.238179
C -2.106112 -0.025814 -0.686590
C 2.564108 0.891163 -1.846760
C 3.658742 -0.496213 0.360402
C -4.182302 1.063506 0.098918
C -2.797437 -1.276976 -0.813353
C -4.821447 -0.171591 -0.014001
C -4.138875 -1.321871 -0.468453
C 4.472129 -0.191046 -0.769566
C 3.913813 0.481764 -1.876651
C -6.324063 -1.928775 -0.011596
C 4.572763 -2.590684 1.209183
C 6.715522 -0.001420 0.175314
H 0.167175 1.926072 -1.298208
H -0.496333 3.567922 0.831852
H -1.408587 2.497240 1.937001
H -1.735557 2.808485 -1.135745
H -2.885409 3.278147 0.117941
H 0.819188 -1.258072 1.412786
H 2.000742 -0.512609 2.504970
H 2.132557 1.410841 -2.709267
H -4.729655 1.946790 0.438338
H -2.251320 -2.149566 -1.179672
H 4.556182 0.681278 -2.739585
H -7.083762 -2.056904 -0.800517
H -6.583843 -2.443256 0.929220
H 3.687122 -3.181170 0.908176
H 4.973337 -2.971071 2.161081
H 5.340717 -2.636661 0.416501
H 6.353492 -0.224621 1.194706
H 6.777549 1.093724 0.029741
H 7.702138 -0.458547 0.005065


