%chk=000084126.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084126

0 1
 O    3.264800     -5.7000001E-03  0.1575000    
 O   -3.095500      0.2566000      0.2446000    
 O    3.482600       1.721700      -1.348300    
 O   -4.645800     -0.2124000      -1.391000    
 N   5.5999998E-03  -1.725800      6.3999998E-03
 C    1.359700      -1.435100      0.4531000    
 C  -0.9370000     -0.7338000      0.5298000    
 C  -0.3981000      -3.072500      0.4179000    
 C    1.942700     -0.2665000     -0.3256000    
 C   -2.205500     -0.7045000     -0.3078000    
 C   0.5252000      -4.126000     -0.1702000    
 C    3.922000       1.021400     -0.4471000    
 C   -4.291200      0.4059000     -0.3974000    
 C    5.275700       1.171200      0.1558000    
 C   -5.111500       1.441300      0.2909000    
 C    5.990700     -2.0700000E-02  0.7148000    
 C   -4.449100       2.574900       1.011900    
 C    5.809500       2.401400      0.1720000    
 C   -6.444900       1.308700      0.2328000    
 H    1.400100      -1.236700       1.532900    
 H    2.059600      -2.259800      0.2897000    
 H   -1.178600     -0.9183000       1.585700    
 H  -0.5315000      0.2835000      0.5139000    
 H  -0.4203000      -3.175500       1.510300    
 H   -1.405000      -3.297700      5.2000001E-02
 H    1.355600      0.6488000     -0.2065000    
 H    1.996200     -0.5152000      -1.393000    
 H   -2.711400      -1.675000     -0.3110000    
 H   -1.967300     -0.4251000      -1.341600    
 H   4.1900001E-02  -5.108000     -0.1063000    
 H    1.469000      -4.216200      0.3757000    
 H   0.7378000      -3.939700      -1.228500    
 H    7.019200      0.2178000       1.006300    
 H    6.036700     -0.8207000     -3.1399999E-02
 H    5.472900     -0.4003000       1.601600    
 H   -5.173700       3.318700       1.360300    
 H   -3.744100       3.086600      0.3485000    
 H   -3.901500       2.208300       1.886100    
 H    6.792200       2.578500      0.5972000    
 H    5.287300       3.263800     -0.2294000    
 H   -7.099500       2.028700      0.7135000    
 H   -6.922200      0.4839000     -0.2863000    


%chk=000084126-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000084126

0 1
O 3.372937 -0.054605 0.135331
O -3.066181 0.334105 0.308518
O 3.476505 1.590650 -1.511110
O -4.483393 -0.114143 -1.486406
N 0.041253 -1.757640 0.286821
C 1.432741 -1.410962 0.656851
C -0.971131 -0.788363 0.770071
C -0.324459 -3.178497 0.529538
C 2.003574 -0.398208 -0.343225
C -2.065322 -0.595253 -0.287637
C 0.296364 -4.142262 -0.498799
C 4.017604 0.981001 -0.555479
C -4.258168 0.495432 -0.411575
C 5.388656 1.234008 0.001740
C -5.178287 1.463416 0.274624
C 5.877269 0.389251 1.160066
C -4.726565 2.116525 1.564328
C 6.121203 2.224067 -0.579407
C -6.382385 1.699599 -0.315956
H 1.512393 -0.997514 1.689271
H 2.053356 -2.323486 0.629029
H -1.438182 -1.105530 1.731470
H -0.485783 0.186078 0.959102
H -0.047149 -3.498159 1.564984
H -1.425712 -3.256110 0.465141
H 1.401568 0.526825 -0.399555
H 2.068838 -0.828731 -1.357508
H -2.568030 -1.541707 -0.555889
H -1.658222 -0.147511 -1.210992
H -0.011370 -5.183072 -0.286532
H 1.401002 -4.110379 -0.477828
H -0.032148 -3.876185 -1.518347
H 6.895814 0.688906 1.459657
H 5.886663 -0.682536 0.892182
H 5.206883 0.487231 2.032767
H -5.505190 2.795096 1.951896
H -3.796977 2.693637 1.411175
H -4.499926 1.357867 2.334771
H 7.129931 2.468126 -0.229280
H 5.711387 2.800007 -1.416272
H -7.107559 2.392721 0.123830
H -6.650500 1.196807 -1.251565


