%chk=000078185.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078185

0 1
 O   -1.529300       2.314300      0.6597000    
 O   -1.530700      -2.318700      0.6134000    
 O    7.497300      2.2399999E-02 -7.3899999E-02
 O    6.074600      4.4100001E-02  -1.844000    
 N   -1.124400     -3.1000001E-03  0.8092000    
 C    1.273000     -4.3499999E-02  0.3127000    
 C   0.1923000     -8.0000004E-03   1.387500    
 C    2.694700     -3.2400001E-02  0.8791000    
 C    3.778600     -3.6899999E-02 -0.2006000    
 C   -1.836200       1.146400      0.5079000    
 C   -1.835000      -1.147300      0.4858000    
 C   -3.104800      0.6981000     -6.5099999E-02
 C   -3.104000     -0.6889000     -7.8599997E-02
 C    5.176300     -1.1600000E-02  0.4180000    
 C   -4.174000       1.432300     -0.5356000    
 C   -4.172700      -1.414800     -0.5630000    
 C   -5.268000      0.7179000      -1.032000    
 C   -5.267500     -0.6919000      -1.045400    
 C    6.259800      2.1600001E-02 -0.6352000    
 H    1.140600     -0.9375000     -0.3101000    
 H    1.146700      0.8169000     -0.3571000    
 H   0.3106000      0.8906000       2.003300    
 H   0.2874000     -0.8865000       2.035400    
 H    2.827600     -0.9056000       1.529800    
 H    2.819600      0.8556000       1.511300    
 H    3.668000     -0.9272000     -0.8320000    
 H    3.647100      0.8331000     -0.8559000    
 H    5.288900      0.8786000       1.046900    
 H    5.325300     -0.9055000       1.033600    
 H   -4.175000       2.515900     -0.5250000    
 H   -4.172900      -2.498400     -0.5732000    
 H   -6.132900       1.254700      -1.413200    
 H   -6.131900      -1.222000      -1.436900    
 H    8.205900      4.3400001E-02 -0.7520000    


%chk=000078185-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078185

0 1
O -1.489739 2.357561 0.712404
O -1.437499 -2.350613 0.611979
O 7.613382 -0.037295 0.003199
O 6.226600 -0.008784 -1.858440
N -1.144211 0.004008 0.795985
C 1.308617 -0.005666 0.261087
C 0.215994 0.006868 1.354233
C 2.726091 -0.000775 0.873794
C 3.833227 -0.017519 -0.201806
C -1.889861 1.184595 0.506236
C -1.863580 -1.178995 0.455595
C -3.191505 0.708384 -0.065075
C -3.175672 -0.707775 -0.095706
C 5.242228 -0.013396 0.419874
C -4.300071 1.437831 -0.518793
C -4.267830 -1.441377 -0.581381
C -5.410785 0.704881 -1.013433
C -5.394838 -0.712640 -1.044379
C 6.350027 -0.017861 -0.614589
H 1.177616 -0.904372 -0.371786
H 1.179701 0.879594 -0.391078
H 0.311698 0.913086 1.979441
H 0.311944 -0.886364 1.998063
H 2.841667 -0.882053 1.539082
H 2.846015 0.897269 1.515433
H 3.718403 -0.909723 -0.846443
H 3.723855 0.858240 -0.869449
H 5.389936 0.873366 1.067747
H 5.391572 -0.890486 1.079953
H -4.301293 2.531879 -0.488824
H -4.244584 -2.535448 -0.599094
H -6.294326 1.240146 -1.377235
H -6.266262 -1.251232 -1.431729
H 8.318483 -0.039231 -0.700064


