%chk=000083169.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083169

0 1
 O   -2.551900     -0.2830000     -0.6306000    
 O   0.4916000       2.697000      -1.823300    
 O    1.334900       3.982900     -0.1663000    
 O   -2.574500      0.9520000       1.305700    
 N  -0.8400000       1.116500     -0.2269000    
 N    3.800200     -0.1091000     -0.3353000    
 C   0.9775000       1.414700       1.408900    
 C    1.964500      0.5607000      0.7176000    
 C  -3.9900001E-02   2.095400      0.4655000    
 C    1.830600     -0.8262000      0.4284000    
 C   -3.802000     -0.8754000     -0.2604000    
 C    2.995700      -1.221400     -0.2323000    
 C    3.185600      0.9728000      0.2358000    
 C   0.8268000      -1.786000      0.6659000    
 C   -4.843000      0.2343000     -0.1188000    
 C   -4.198500      -1.845400      -1.371300    
 C   -3.615400      -1.619200       1.061200    
 C   0.6650000       3.017600     -0.5187000    
 C   -2.039500      0.6269000      0.2509000    
 C    3.208100      -2.533900     -0.6689000    
 C    1.025400      -3.102800      0.2349000    
 C    2.198600      -3.468700     -0.4221000    
 H   0.4348000      0.8201000       2.155200    
 H    1.509700       2.190200       1.976000    
 H  -0.7180000       2.722400       1.057200    
 H    3.674800       1.936900      0.2477000    
 H  -0.5017000      0.7532000      -1.113200    
 H    4.712600     -9.4099998E-02 -0.7698000    
 H  -9.0800002E-02  -1.522400       1.183100    
 H   -4.775600      0.9446000     -0.9509000    
 H   -5.854700     -0.1888000     -0.1204000    
 H   -4.769100      0.8122000      0.8059000    
 H   -3.429000      -2.613900      -1.508200    
 H   -4.287100      -1.322100      -2.330300    
 H   -5.150400      -2.342500      -1.158600    
 H   -3.556200     -0.9762000       1.942700    
 H   -4.461100      -2.293100       1.242900    
 H   -2.702300      -2.225400       1.043300    
 H    4.121100      -2.819700      -1.180400    
 H   0.2550000      -3.847400      0.4168000    
 H    2.332200      -4.497000     -0.7481000    
 H   0.9619000       3.318300      -2.419200    


%chk=000083169-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000083169

0 1
O -2.673133 -0.177025 -0.616300
O 0.630734 2.593267 -1.982847
O 1.522893 3.952186 -0.325977
O -2.399205 1.031682 1.417174
N -0.905466 1.212174 -0.370455
N 3.956201 -0.140461 -0.126676
C 0.938031 1.505693 1.360484
C 1.976671 0.597485 0.755132
C -0.043642 2.168406 0.320312
C 1.838085 -0.810464 0.410623
C -3.938538 -0.898134 -0.173983
C 3.096699 -1.245767 -0.140377
C 3.281272 0.962820 0.414770
C 0.780861 -1.753109 0.526667
C -5.044988 0.135938 0.116107
C -4.267204 -1.745948 -1.415155
C -3.620933 -1.784549 1.047617
C 0.769616 3.011040 -0.653152
C -2.030594 0.715237 0.249544
C 3.318469 -2.571581 -0.575020
C 0.996243 -3.076743 0.098771
C 2.250202 -3.482196 -0.449075
H 0.297897 0.962258 2.078651
H 1.423276 2.333038 1.909069
H -0.687710 2.856897 0.902098
H 3.773759 1.927280 0.529037
H -0.665448 0.899533 -1.311936
H 4.924809 -0.142733 -0.437673
H -0.186547 -1.457419 0.946175
H -5.196530 0.791925 -0.759551
H -5.995756 -0.389212 0.322122
H -4.784644 0.755983 0.988152
H -3.436663 -2.435741 -1.644279
H -4.434715 -1.098688 -2.293179
H -5.181103 -2.339620 -1.234319
H -3.357156 -1.170082 1.922842
H -4.505793 -2.397755 1.298397
H -2.783569 -2.468077 0.817339
H 4.281341 -2.887532 -0.992360
H 0.189694 -3.813510 0.185603
H 2.384900 -4.519660 -0.775016
H 1.213587 3.148165 -2.567754


