%chk=000148839.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148839

0 1
 O   -2.726900      -1.907800     -0.9246000    
 O   -5.093800      -1.384200      0.6716000    
 N  -0.6229000      5.6600001E-02 -0.6272000    
 C   -2.048700      0.3893000     -0.7048000    
 C   -2.888600     -0.7490000     -0.1031000    
 C   -2.310500       1.722900      3.8999999E-03
 C   -4.378700     -0.3868000     -5.6200001E-02
 C  -0.1985000     -6.1000001E-02  0.7746000    
 C   0.1782000       1.059100      -1.342900    
 C    2.173200      0.5254000      0.1183000    
 C   -3.796400       2.069500      7.7000000E-03
 C   -4.619300      0.9526000      0.6350000    
 C    1.274500     -0.4660000      0.8739000    
 C    1.665300      0.6962000      -1.321900    
 C    3.636000      0.1290000      0.1697000    
 C    4.445900      0.5926000       1.204900    
 C    4.167400     -0.6976000     -0.8187000    
 C   -6.485600      -1.107400      0.6956000    
 C    5.791500      0.2281000       1.251900    
 C    5.512900      -1.062200     -0.7715000    
 C    6.325000     -0.5994000      0.2638000    
 H   -2.324400      0.4801000      -1.765000    
 H   -2.602100      -1.030800      0.9124000    
 H   -1.801000       2.559700     -0.4826000    
 H   -2.009900       1.720600       1.055100    
 H   -4.767500     -0.3643000      -1.083600    
 H  -0.7388000     -0.8361000       1.320800    
 H  -0.2897000      0.8728000       1.337000    
 H   9.3599997E-02   2.061900     -0.9117000    
 H  -0.1448000       1.120600      -2.389300    
 H    2.079600       1.507500      0.6048000    
 H   -3.957800       3.002300      0.5604000    
 H   -4.136100       2.244800      -1.020700    
 H   -4.385600      0.8708000       1.704800    
 H   -5.670200       1.255800      0.5756000    
 H    1.570300     -0.5136000       1.929600    
 H    1.404400      -1.478700      0.4687000    
 H    1.769100     -0.2248000      -1.906200    
 H    2.240700       1.472700      -1.841100    
 H   -3.297800      -2.605300     -0.5594000    
 H    4.041700       1.235700       1.982000    
 H    3.572800      -1.107600      -1.626600    
 H   -7.002900      -2.040300      0.9405000    
 H   -6.858500     -0.7651000     -0.2754000    
 H   -6.730600     -0.3931000       1.486900    
 H    6.423700      0.5877000       2.058500    
 H    5.927400      -1.712000      -1.536700    
 H    7.372300     -0.8846000      0.3015000    


%chk=000148839-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148839

0 1
O -2.465330 -1.735001 -0.579399
O -5.029402 -1.542136 0.406127
N -0.604285 0.461144 -0.241354
C -2.063141 0.682040 -0.362353
C -2.886295 -0.529427 0.135070
C -2.585415 1.980382 0.337297
C -4.395657 -0.300289 -0.097057
C -0.053377 0.320344 1.120666
C 0.226085 1.337119 -1.090833
C 2.308085 0.597640 0.184655
C -4.100577 2.195193 0.116742
C -4.910942 0.968649 0.603139
C 1.369863 -0.274488 1.065903
C 1.657946 0.776078 -1.216692
C 3.724389 0.034913 0.104265
C 4.831708 0.784509 0.577421
C 3.971795 -1.252070 -0.445016
C -6.402700 -1.739130 -0.056603
C 6.147033 0.270094 0.507840
C 5.282895 -1.770858 -0.516930
C 6.378020 -1.011813 -0.040394
H -2.268087 0.772103 -1.450662
H -2.748635 -0.666661 1.232306
H -2.019542 2.850532 -0.046393
H -2.382392 1.918616 1.425611
H -4.576535 -0.234425 -1.195541
H -0.704331 -0.350108 1.708952
H -0.007763 1.303219 1.662526
H 0.291698 2.384691 -0.687808
H -0.239877 1.400522 -2.092518
H 2.365202 1.603632 0.654598
H -4.440965 3.104224 0.647707
H -4.297412 2.364442 -0.962345
H -4.795031 0.845795 1.697983
H -5.988903 1.114672 0.400204
H 1.782709 -0.353993 2.090261
H 1.307862 -1.295121 0.644695
H 1.611262 -0.203024 -1.729394
H 2.275375 1.454743 -1.836723
H -3.155148 -2.418945 -0.360951
H 4.659584 1.780681 1.004866
H 3.133490 -1.853212 -0.817813
H -6.704130 -2.738142 0.296465
H -6.463789 -1.704188 -1.165021
H -7.093471 -0.982404 0.366410
H 6.987798 0.867167 0.879877
H 5.452527 -2.766407 -0.943500
H 7.395705 -1.414706 -0.095988


