%chk=000057968.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057968

0 1
 I   -2.579100       1.517400      -1.922600    
 I   -2.333100      -3.950600      0.7324000    
 I   -7.282000     -0.6765000       1.338700    
 O    4.459200     -0.4591000      2.3399999E-02
 O   -1.506000      -1.333600     -0.9688000    
 O    6.466400       1.663100       1.842400    
 O    6.677800       2.275400     -0.3311000    
 O   -4.903800       2.761600       1.284000    
 N   -5.488800       1.341600     -0.5028000    
 C    6.846600     -8.8799998E-02  0.2556000    
 C    5.715800     -0.6363000     -0.6231000    
 C    2.077700     -0.6915000     -4.9400002E-02
 C    8.236000     -0.3581000     -0.3437000    
 C   0.8789000      -1.138300     -0.8787000    
 C    3.387700     -0.9070000     -0.7937000    
 C  -0.4340000     -0.8834000     -0.1521000    
 C    9.403800      0.1027000      0.5198000    
 C    6.661600       1.399500      0.5238000    
 C   -2.773300      -1.165000     -0.4743000    
 C   -3.480200      4.1000000E-03 -0.7437000    
 C   -4.770100      0.1672000     -0.2385000    
 C   -3.347800      -2.172200      0.2970000    
 C   -5.348900     -0.8393000      0.5346000    
 C   -4.637700      -2.009000      0.8023000    
 C   -5.512000       2.520600      0.2462000    
 C   -6.414400       3.555500     -0.3778000    
 H    6.787300     -0.6000000       1.226600    
 H    5.704700     -0.1118000      -1.586700    
 H    5.875200      -1.705000     -0.8094000    
 H    1.982600      0.3694000      0.2143000    
 H    2.105600      -1.235700      0.9028000    
 H    8.316100      0.1310000      -1.322700    
 H    8.343500      -1.435200     -0.5218000    
 H   0.9612000      -2.205600      -1.119400    
 H   0.8662000     -0.6132000      -1.842100    
 H    3.381600     -0.3419000      -1.733300    
 H    3.519100      -1.971200      -1.022000    
 H  -0.5357000      0.1852000      6.6699997E-02
 H  -0.4338000      -1.414600      0.8061000    
 H    9.406200       1.189800      0.6440000    
 H    9.360300     -0.3584000       1.511500    
 H    10.35230     -0.1825000      5.3599998E-02
 H    6.346100       2.622200       2.009300    
 H   -5.087800      -2.794800       1.405500    
 H   -6.149900       1.265500      -1.272800    
 H   -6.147900       3.702300      -1.428400    
 H   -6.305000       4.507600      0.1489000    
 H   -7.454200       3.224700     -0.3071000    


%chk=000057968-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057968

0 1
I -2.641355 1.454705 -1.926504
I -2.485638 -4.155164 0.534741
I -7.532766 -0.759706 1.156723
O 4.496995 -0.546307 0.022328
O -1.560846 -1.434194 -0.974083
O 6.538920 2.043488 1.502636
O 6.447747 2.149903 -0.811896
O -4.286718 2.646405 1.009841
N -5.598729 1.363275 -0.437536
C 6.844910 -0.032535 0.283699
C 5.809724 -0.751667 -0.596280
C 2.089006 -0.756231 -0.058284
C 8.293221 -0.337502 -0.203545
C 0.849396 -1.193832 -0.872341
C 3.391238 -1.011272 -0.823647
C -0.443713 -0.947920 -0.098644
C 9.390166 0.274213 0.692575
C 6.581507 1.466351 0.228434
C -2.849478 -1.247895 -0.470941
C -3.567220 -0.043240 -0.712738
C -4.897515 0.138590 -0.239640
C -3.514275 -2.306187 0.202860
C -5.520102 -0.953926 0.425668
C -4.849625 -2.175272 0.635074
C -5.261915 2.562651 0.217520
C -6.152624 3.744664 -0.146845
H 6.723739 -0.367439 1.328554
H 5.826826 -0.328015 -1.624059
H 6.044953 -1.837573 -0.649767
H 2.031832 0.322165 0.184606
H 2.133157 -1.301878 0.903963
H 8.405353 0.030563 -1.242147
H 8.414030 -1.438239 -0.234432
H 0.911260 -2.270651 -1.122361
H 0.799862 -0.638989 -1.828859
H 3.397509 -0.457984 -1.789551
H 3.510696 -2.096277 -1.046561
H -0.597416 0.127772 0.113762
H -0.468196 -1.518717 0.850537
H 9.335938 1.377670 0.705045
H 9.294538 -0.076695 1.736431
H 10.393672 -0.008671 0.326836
H 6.367444 3.021083 1.411821
H -5.349891 -3.002913 1.141394
H -6.473894 1.331618 -0.965859
H -5.692430 4.301741 -0.983915
H -6.213550 4.423035 0.717735
H -7.171745 3.444801 -0.448847


