%chk=000041599.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041599

0 1
 O    2.150000      0.7384000      0.2157000    
 O   -5.547600      0.6097000     -0.5994000    
 O   0.7677000      -1.000500     -0.3280000    
 N    5.710900     -0.2000000      0.3775000    
 N  -5.2900001E-02   1.152000      8.9000002E-02
 C    6.814600      0.3844000       1.152200    
 C    6.106100     -0.4311000      -1.019000    
 C    8.042100     -0.5280000       1.138800    
 C    7.310400      -1.369900      -1.103600    
 C    8.483800     -0.8420000     -0.2860000    
 C    4.530200      0.6611000      0.4393000    
 C    3.270800     -0.1315000      0.1276000    
 C   0.9203000      0.1800000     -3.8600001E-02
 C   -7.556500     -0.4621000      0.1566000    
 C   -8.225700      -1.787000      0.5110000    
 C   -6.118200     -0.6632000     -0.2991000    
 C   -1.448900       1.014000     -8.4399998E-02
 C   -4.203800      0.7419000     -0.4291000    
 C   -9.647600      -1.578000       1.006600    
 C   -2.285600       2.116800      8.7499999E-02
 C   -1.989800     -0.2248000     -0.4288000    
 C   -3.663000       1.980800     -8.4899999E-02
 C   -3.367200     -0.3609000     -0.6010000    
 H    6.507600      0.5197000       2.196600    
 H    7.085000       1.373700      0.7600000    
 H    6.347900      0.5167000      -1.518400    
 H    5.294100     -0.8971000      -1.586600    
 H    8.864200     -5.0700001E-02   1.683800    
 H    7.810400      -1.463400       1.664100    
 H    7.027400      -2.364800     -0.7368000    
 H    7.614100      -1.489600      -2.149700    
 H    9.296000      -1.577100     -0.2750000    
 H    8.877800      6.7500003E-02 -0.7559000    
 H    4.616800       1.536000     -0.2185000    
 H    4.405700       1.070600       1.451200    
 H    3.151400     -0.9495000      0.8487000    
 H    3.300900     -0.5510000     -0.8832000    
 H   -7.570700      0.2132000       1.021400    
 H   -8.121000      5.0200000E-02 -0.6324000    
 H   -8.241900      -2.442500     -0.3675000    
 H   -7.648600      -2.300900       1.288600    
 H   -6.091800      -1.287800      -1.199400    
 H   -5.574900      -1.166300      0.5115000    
 H   0.2714000       2.083100      0.3386000    
 H   -10.26220      -1.092800      0.2415000    
 H   -10.10840      -2.539700       1.252900    
 H   -9.662100     -0.9541000       1.906000    
 H   -1.877000       3.087800      0.3555000    
 H   -1.404100      -1.120100     -0.5852000    
 H   -4.309900       2.843300      5.0000001E-02
 H   -3.745400      -1.335100     -0.8965000    


%chk=000041599-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041599

0 1
O 2.261452 0.716696 0.390442
O -5.618860 0.604088 0.238295
O 0.874427 -1.177900 0.158978
N 5.920564 -0.039664 0.196679
N 0.026140 1.027483 0.382219
C 7.087997 0.667042 0.784328
C 6.217530 -0.526999 -1.175779
C 8.317638 -0.261027 0.852035
C 7.420251 -1.492163 -1.173691
C 8.662514 -0.817298 -0.548399
C 4.670771 0.753021 0.266711
C 3.451035 -0.173893 0.351095
C 1.013875 0.063819 0.296607
C -7.804223 -0.424438 0.136370
C -8.635063 -1.725795 0.049190
C -6.299018 -0.698249 0.113779
C -1.384910 0.836787 0.333430
C -4.213933 0.606362 0.260274
C -10.154861 -1.455471 0.069253
C -2.208264 1.991264 0.441380
C -1.991312 -0.434660 0.186473
C -3.607223 1.878885 0.405083
C -3.398834 -0.546628 0.150621
H 6.813352 1.005618 1.800727
H 7.353828 1.580410 0.187174
H 6.436728 0.334526 -1.862694
H 5.324719 -1.041860 -1.574934
H 9.175997 0.296726 1.273809
H 8.091006 -1.099799 1.538330
H 7.152052 -2.392547 -0.588191
H 7.632413 -1.816366 -2.210746
H 9.502593 -1.534446 -0.484709
H 8.996660 0.015169 -1.202349
H 4.549547 1.444953 -0.602269
H 4.696451 1.379287 1.177174
H 3.481854 -0.787033 1.268341
H 3.365252 -0.848666 -0.518623
H -8.053737 0.120502 1.067154
H -8.061423 0.245315 -0.706581
H -8.370329 -2.274309 -0.877980
H -8.367772 -2.392454 0.894426
H -5.996990 -1.187396 -0.836532
H -6.002271 -1.355056 0.958980
H 0.366753 1.984642 0.493384
H -10.454446 -0.814106 -0.780612
H -10.731868 -2.395798 0.003758
H -10.453105 -0.938951 1.000746
H -1.750999 2.982310 0.555416
H -1.362607 -1.323546 0.101808
H -4.247903 2.761731 0.488518
H -3.840646 -1.540715 0.036301


