%chk=000059117.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059117

0 1
 O  -0.2142000     -0.5423000      0.4659000    
 O    2.997200     -0.4273000      -1.115000    
 O   0.4749000     -0.9952000      -1.684700    
 N   -4.283600      0.2045000     -3.7099998E-02
 C   -1.554000     -0.8923000      0.1086000    
 C   -2.436900     -0.6797000       1.346600    
 C   -2.021500      4.1600000E-02  -1.017800    
 C   -3.928600     -0.7412000       1.021000    
 C   -3.526900     -4.5800000E-02  -1.263800    
 C   -1.542600      -2.359600     -0.3324000    
 C    2.094700     -0.2380000     -2.5300000E-02
 C    2.123300       1.251500      0.3814000    
 C   0.7093000     -0.6395000     -0.5360000    
 C    1.714400       2.208100     -0.7501000    
 C    2.492000      -1.182600       1.128200    
 C    1.677700       3.678100     -0.3171000    
 C   0.7744000       3.997100      0.8769000    
 C    2.549400      -2.598000      0.7257000    
 C  -0.6976000       3.714200      0.6207000    
 C    2.598700      -3.753700      0.4044000    
 H   -2.191200      -1.420000       2.118300    
 H   -2.202400      0.2956000       1.795800    
 H   -1.757500       1.077000     -0.7725000    
 H   -1.542300     -0.1592000      -1.979200    
 H   -4.503400     -0.4923000       1.920200    
 H   -4.232200      -1.754400      0.7360000    
 H   -3.797000      -1.025100      -1.676200    
 H   -3.817300      0.6980000      -2.014100    
 H   -2.551400      -2.784300     -0.3482000    
 H   -1.146500      -2.522800      -1.337800    
 H  -0.9408000      -2.967800      0.3533000    
 H   -4.081700       1.151100      0.2863000    
 H    3.138500       1.517200      0.7024000    
 H    1.463400       1.386200       1.244800    
 H   0.7288000       1.935000      -1.142000    
 H    2.418700       2.110900      -1.585100    
 H    3.489600     -0.8987000       1.487600    
 H    1.807400      -1.070300       1.977300    
 H    2.698700       3.993100     -6.7299999E-02
 H    1.369700       4.287900      -1.175500    
 H   0.8797000       5.066800       1.098200    
 H    1.106200       3.471400       1.777900    
 H    2.945600      -1.350500      -1.413500    
 H   -1.305200       4.108200       1.441600    
 H  -0.8813000       2.639200      0.5630000    
 H   -1.037500       4.180500     -0.3090000    
 H    2.641500      -4.778600      0.1186000    


%chk=000059117-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059117

0 1
O -0.197933 -0.507903 0.271814
O 3.168964 -0.317393 -1.144417
O 0.699455 -1.182117 -1.790572
N -4.431085 0.124651 -0.154630
C -1.644612 -0.946828 -0.036766
C -2.394654 -0.493471 1.234952
C -2.160088 -0.168833 -1.270631
C -3.939028 -0.586743 1.045489
C -3.712085 -0.280630 -1.382528
C -1.648477 -2.475010 -0.219006
C 2.181489 -0.229061 -0.074721
C 2.142834 1.236460 0.424452
C 0.813478 -0.686888 -0.640102
C 1.701360 2.244825 -0.656544
C 2.596202 -1.181123 1.103475
C 1.770492 3.718142 -0.184109
C 0.884921 4.065998 1.040903
C 2.614325 -2.606624 0.740460
C -0.621173 3.793241 0.824642
C 2.615077 -3.801539 0.435898
H -2.072285 -1.106123 2.098178
H -2.116412 0.557101 1.447943
H -1.886551 0.899478 -1.154330
H -1.677945 -0.544639 -2.189272
H -4.445776 -0.177151 1.937351
H -4.243385 -1.648875 0.964951
H -3.993466 -1.326086 -1.616664
H -4.064736 0.341294 -2.224524
H -2.685950 -2.846546 -0.291744
H -1.108761 -2.767164 -1.133629
H -1.169921 -2.965382 0.646836
H -4.418901 1.145913 -0.024689
H 3.166753 1.489949 0.764528
H 1.473746 1.288140 1.302804
H 0.668352 2.011116 -0.985111
H 2.351207 2.112586 -1.541367
H 3.609654 -0.866613 1.416750
H 1.909924 -1.017766 1.955608
H 2.824575 3.969246 0.054978
H 1.477796 4.373191 -1.030322
H 1.027262 5.138263 1.282709
H 1.234896 3.504113 1.929827
H 2.801432 -0.921644 -1.847209
H -1.215395 4.134410 1.692660
H -0.819369 2.713966 0.685085
H -0.993834 4.324934 -0.071712
H 2.627827 -4.840862 0.163308


