%chk=000048729.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048729

0 1
 O  -6.4400002E-02  0.2621000       2.092700    
 O    1.441300     -6.3800000E-02  -2.343200    
 O    1.668900      -3.670500      0.4846000    
 N   0.8927000      -1.672500       1.315800    
 N    1.645400      -1.835200     -0.8998000    
 C   0.3148000       1.587700     -0.3615000    
 C    1.197300      0.3922000      2.6000001E-02
 C   -1.027800       1.126200     -0.9660000    
 C   0.1739000       2.541100      0.8399000    
 C    2.583200      0.9025000      0.4591000    
 C   -1.928700      0.3250000     -2.0300001E-02
 C   0.5886000     -0.3223000       1.228500    
 C    1.410700     -0.5001000      -1.192600    
 C   -3.262700     -1.7500000E-02 -0.6896000    
 C  -0.6804000       3.767000      0.5508000    
 C    3.226400       1.719700     -0.6387000    
 C    1.435100      -2.472400      0.3172000    
 C   -4.151200     -0.8494000      0.2351000    
 C   -5.463100      -1.219800     -0.4381000    
 H   0.7745000       2.159300      -1.176700    
 H  -0.8691000      0.5406000      -1.877900    
 H   -1.581000       2.010100      -1.308200    
 H  -0.2972000       2.165600       1.738300    
 H    1.151700       2.931900       1.136300    
 H    2.563300       1.459700       1.401800    
 H    3.240700      4.5699999E-02  0.6640000    
 H   -2.133400      0.8845000      0.8974000    
 H   -1.483000     -0.6395000      0.2229000    
 H   -3.784000      0.9071000     -0.9660000    
 H   -3.077200     -0.5730000      -1.617200    
 H  -0.3359000       4.283000     -0.3511000    
 H   -1.735000       3.505400      0.4217000    
 H  -0.6197000       4.475800       1.384000    
 H    2.729100       2.675300     -0.8207000    
 H    4.243500       1.980800     -0.3196000    
 H    3.346600       1.186000      -1.583200    
 H   0.6176000      -2.145200       2.172300    
 H    1.925500      -2.427900      -1.676300    
 H   -3.628900      -1.767300      0.5291000    
 H   -4.362200     -0.2881000       1.152700    
 H   -6.026600     -0.3241000     -0.7182000    
 H   -5.287000      -1.812000      -1.341800    
 H   -6.083400      -1.812900      0.2411000    


%chk=000048729-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048729

0 1
O 0.676258 0.050850 2.403964
O 2.005867 0.080708 -2.298530
O 0.985382 -3.855345 -0.072001
N 0.798027 -1.845191 1.108405
N 1.531769 -1.841280 -1.128279
C 0.338837 1.513947 -0.329301
C 1.391744 0.385298 0.069006
C -0.991182 0.933270 -0.904028
C 0.106641 2.571764 0.781512
C 2.781873 1.000747 0.535457
C -2.020305 0.353777 0.096937
C 0.915894 -0.448373 1.273020
C 1.660891 -0.439852 -1.204333
C -3.295950 -0.150949 -0.616337
C -0.727839 3.776775 0.290416
C 3.409200 2.066124 -0.384658
C 1.096270 -2.604872 -0.033269
C -4.347951 -0.734389 0.354647
C -5.610522 -1.251263 -0.368342
H 0.835146 2.023964 -1.180014
H -0.757156 0.163840 -1.668204
H -1.488379 1.748789 -1.466006
H -0.377157 2.108799 1.658540
H 1.081977 2.947826 1.142447
H 2.617034 1.416354 1.545554
H 3.495697 0.160596 0.657393
H -2.300293 1.126505 0.839863
H -1.584939 -0.484330 0.675306
H -3.751029 0.683286 -1.190924
H -3.019180 -0.925254 -1.362683
H -0.279750 4.239296 -0.610178
H -1.764516 3.487867 0.039539
H -0.782657 4.553231 1.075123
H 2.798154 2.984461 -0.428162
H 4.401550 2.346095 0.014328
H 3.539818 1.694874 -1.414120
H 0.499486 -2.377992 1.932344
H 1.747246 -2.368112 -1.981406
H -3.888518 -1.560595 0.934848
H -4.632526 0.042480 1.093105
H -6.107835 -0.437568 -0.929522
H -5.353030 -2.047765 -1.091924
H -6.345144 -1.667594 0.345067


