%chk=000049054.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049054

0 1
 O   -1.125500       2.240500     -0.3643000    
 O  -0.2006000       4.334200     -0.1187000    
 O    4.741800      0.3964000      0.5711000    
 N   -4.433000     -0.3295000      0.1605000    
 C   -4.225400     -0.9525000      -1.165700    
 C   -4.511600      -1.310900       1.264100    
 C   -5.344100      -1.966700      -1.458700    
 C   -5.628300      -2.337800      0.9921000    
 C   -5.473500      -3.014700     -0.3626000    
 C   -3.471600      0.7451000      0.4089000    
 C   -2.839600      -1.583300      -1.378900    
 C   -4.792900     -0.6557000       2.625600    
 C   -3.419900       1.695300     -0.7832000    
 C   -2.410400       2.813800     -0.5630000    
 C  -0.1050000       3.117200     -0.1521000    
 C    1.178500       2.395600      3.8800001E-02
 C    1.158700       1.133900      0.5976000    
 C    2.352100       3.009700     -0.3482000    
 C    2.364900      0.4570000      0.7772000    
 C    3.558400       2.332600     -0.1686000    
 C    3.564800       1.056300      0.3941000    
 C    4.793400     -0.9378000      0.2036000    
 C    4.245800      -1.325000      -1.006200    
 C    5.390200      -1.848800       1.056000    
 C    4.296800      -2.669100      -1.375900    
 C    5.441400      -3.192900      0.6862000    
 C    4.894600      -3.602900     -0.5297000    
 H   -4.381100     -0.2137000      -1.958600    
 H   -3.559000      -1.848900       1.353000    
 H   -5.171300      -2.461500      -2.422000    
 H   -6.299300      -1.432300      -1.551900    
 H   -6.607600      -1.842000       1.034000    
 H   -5.630800      -3.105600       1.775400    
 H   -6.340700      -3.654800     -0.5598000    
 H   -4.593200      -3.667600     -0.3545000    
 H   -2.479000      0.3373000      0.6330000    
 H   -3.781900       1.335900       1.277800    
 H   -2.625900      -2.376000     -0.6558000    
 H   -2.033700     -0.8466000      -1.312300    
 H   -2.777800      -2.029900      -2.377800    
 H   -5.673900     -5.7000001E-03   2.582400    
 H   -4.978200      -1.417900       3.390900    
 H   -3.941000     -6.2799998E-02   2.973500    
 H   -3.076000       1.201400      -1.695800    
 H   -4.408000       2.128900     -0.9773000    
 H   -2.690900       3.407300      0.3152000    
 H   -2.389400       3.468100      -1.442300    
 H   0.2401000      0.6533000      0.9206000    
 H    2.359800       4.001500     -0.7904000    
 H    2.342100     -0.5250000       1.242400    
 H    4.489900       2.804000     -0.4696000    
 H    3.796200     -0.6140000      -1.693100    
 H    5.815700      -1.531100       2.003100    
 H    3.876000      -2.987800      -2.325100    
 H    5.906900      -3.920000       1.345000    
 H    4.935500      -4.649200     -0.8182000    


%chk=000049054-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049054

0 1
O -1.089872 2.055618 -0.358411
O -0.175665 4.178510 -0.049422
O 5.032820 0.387650 0.647832
N -4.776020 -0.321624 0.096522
C -4.670148 -1.135256 -1.162579
C -5.093106 -1.144861 1.311465
C -5.993002 -1.903641 -1.400750
C -6.408532 -1.932077 1.080416
C -6.367717 -2.792400 -0.197719
C -3.630184 0.607295 0.297415
C -3.429644 -2.077079 -1.229400
C -5.244132 -0.274201 2.578470
C -3.416493 1.578320 -0.883890
C -2.425970 2.694830 -0.555763
C -0.025939 2.930783 -0.108907
C 1.262899 2.210696 0.067208
C 1.357472 0.795670 0.008142
C 2.434270 2.977576 0.308664
C 2.598266 0.152127 0.174774
C 3.678086 2.347043 0.475536
C 3.757481 0.935562 0.401611
C 5.394999 -0.900097 0.164005
C 5.093161 -1.325496 -1.150283
C 6.177062 -1.692969 1.030202
C 5.574392 -2.579105 -1.588707
C 6.655444 -2.941911 0.575473
C 6.352695 -3.391961 -0.731078
H -4.574163 -0.410280 -1.992696
H -4.276430 -1.889412 1.507122
H -5.901683 -2.507279 -2.324660
H -6.799363 -1.162124 -1.563903
H -7.237022 -1.198926 1.006059
H -6.602040 -2.565140 1.968325
H -7.348768 -3.275810 -0.368101
H -5.629310 -3.610427 -0.077531
H -2.671626 0.072301 0.509281
H -3.850844 1.221545 1.188119
H -3.449925 -2.852651 -0.443745
H -2.487057 -1.509707 -1.120105
H -3.399478 -2.589701 -2.208757
H -5.925435 0.574068 2.379888
H -5.681610 -0.884225 3.389892
H -4.283779 0.122655 2.950473
H -3.056081 1.050354 -1.785924
H -4.389667 2.042993 -1.139130
H -2.690759 3.238856 0.370450
H -2.339635 3.430765 -1.375540
H 0.451246 0.208219 -0.162982
H 2.345164 4.067592 0.356578
H 2.664186 -0.939214 0.143826
H 4.591679 2.918692 0.661291
H 4.508597 -0.686478 -1.819622
H 6.400505 -1.322467 2.035014
H 5.347406 -2.914399 -2.606652
H 7.262818 -3.562114 1.243526
H 6.723955 -4.361387 -1.079519


