%chk=000047624.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047624

0 1
 O  -0.4684000      0.8264000      -1.998800    
 O  -0.4349000      0.5651000       2.277600    
 O   -2.299500      -3.574400     -0.8501000    
 N    3.405500      0.2822000      6.3500002E-02
 C  -0.3472000      0.9236000     -0.5751000    
 C    1.153700       1.169900     -0.2354000    
 C    2.166500      9.9399999E-02 -0.7041000    
 C   -1.168000       2.175300     -0.1436000    
 C  -0.8775000     -0.3407000      0.1028000    
 C   -2.644400       2.136600     -0.5725000    
 C    2.496000      0.1585000      -2.193900    
 C    4.339500     -0.8039000     -0.2196000    
 C    4.006900       1.575400     -0.2497000    
 C   -3.406300       3.418300     -0.2226000    
 C  -0.8933000     -0.4503000       1.493300    
 C   -1.350000      -1.390300     -0.6849000    
 C    3.724200      -2.155100      0.1027000    
 C    5.262200       1.810700      0.5731000    
 C   -1.838600      -2.549600     -8.2199998E-02
 C   -1.381700      -1.609600       2.096100    
 C   -4.847300       3.420200     -0.7088000    
 C   -1.854200      -2.659200       1.308300    
 C  -0.4881000      0.3682000       3.689100    
 C   -2.254800      -3.396700      -2.265100    
 H    1.419000       2.122200     -0.7156000    
 H    1.268400       1.334600      0.8420000    
 H    1.716200     -0.8686000     -0.4729000    
 H  -0.7247000       3.057700     -0.6268000    
 H   -1.108900       2.368100      0.9314000    
 H   -2.710300       1.976900      -1.655300    
 H   -3.148600       1.288700     -9.4499998E-02
 H    2.707300       1.170700      -2.553200    
 H    3.293900     -0.5086000      -2.524800    
 H    1.622700     -0.1772000      -2.764900    
 H    5.190500     -0.7241000      0.4675000    
 H    4.777500     -0.7975000      -1.222700    
 H    3.337300       2.402400      3.8000001E-03
 H    4.292700       1.688400      -1.300700    
 H  -0.1322000       1.651200      -2.389100    
 H   -2.888200       4.280000     -0.6602000    
 H   -3.396500       3.559900      0.8647000    
 H   -1.324000      -1.280200      -1.761400    
 H    3.204300      -2.150500       1.067300    
 H    3.035400      -2.499600     -0.6748000    
 H    4.516300      -2.910100      0.1690000    
 H    5.568400       2.859500      0.4848000    
 H    6.109200       1.209400      0.2283000    
 H    5.093000       1.610300       1.636800    
 H   -1.424900      -1.766200       3.168400    
 H   -5.408900       2.591600     -0.2661000    
 H   -4.891900       3.322200      -1.798000    
 H   -5.341900       4.355800     -0.4299000    
 H   -2.233600      -3.560400       1.782300    
 H   -1.519000      0.2611000       4.043400    
 H   0.1515000     -0.4628000       4.005200    
 H  -8.5100003E-02   1.273500       4.155100    
 H   -2.660200      -4.308000      -2.717000    
 H   -1.225900      -3.293600      -2.626400    
 H   -2.896000      -2.569500      -2.588300    


%chk=000047624-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047624

0 1
O -0.611687 0.841221 -2.237447
O -0.170873 0.752911 2.068257
O -2.158377 -3.637332 -0.871816
N 3.308551 0.226935 -0.024628
C -0.348605 1.079864 -0.786535
C 1.166839 1.392565 -0.582320
C 2.151798 0.258238 -0.983264
C -1.202176 2.304819 -0.336682
C -0.770055 -0.213934 -0.069939
C -2.725179 2.120804 -0.503643
C 2.568007 0.333736 -2.479782
C 4.083447 -1.042040 -0.043796
C 4.192599 1.421955 -0.100518
C -3.512848 3.416981 -0.205684
C -0.651044 -0.362254 1.341980
C -1.276601 -1.301296 -0.818994
C 3.264351 -2.279433 0.373114
C 4.901537 1.726638 1.235790
C -1.648636 -2.513418 -0.191659
C -1.016402 -1.579958 1.967155
C -5.039418 3.233777 -0.347340
C -1.513545 -2.654988 1.206285
C 0.149826 0.556317 3.481143
C -2.313571 -3.525456 -2.322349
H 1.389045 2.326565 -1.142736
H 1.317579 1.600154 0.490745
H 1.615911 -0.695480 -0.831621
H -0.867987 3.182424 -0.933788
H -0.965197 2.525213 0.719642
H -2.944834 1.779757 -1.534863
H -3.076117 1.316865 0.172998
H 3.051059 1.301017 -2.717153
H 3.277117 -0.473381 -2.743747
H 1.674317 0.224005 -3.118293
H 4.916119 -0.922849 0.673830
H 4.559451 -1.231385 -1.041292
H 3.566292 2.293008 -0.365172
H 4.958964 1.325287 -0.910838
H -0.347600 1.668275 -2.714349
H -3.171274 4.220399 -0.891191
H -3.274286 3.763672 0.820900
H -1.363538 -1.160096 -1.897665
H 2.750474 -2.091609 1.332774
H 2.499249 -2.554076 -0.374159
H 3.933813 -3.151098 0.496221
H 5.507687 2.648551 1.151297
H 5.579796 0.909758 1.541756
H 4.153714 1.864849 2.036610
H -0.920426 -1.700331 3.049990
H -5.410082 2.459475 0.350618
H -5.305050 2.912558 -1.372357
H -5.584777 4.171797 -0.133916
H -1.799880 -3.599674 1.677954
H -0.756486 0.329923 4.076723
H 0.894613 -0.252131 3.614471
H 0.578015 1.513573 3.814942
H -2.719638 -4.495894 -2.644870
H -1.341252 -3.342629 -2.820717
H -3.019631 -2.715847 -2.592571


