%chk=000083975.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083975

0 1
 O  -0.2154000      0.5427000      0.4323000    
 O   -1.806800       1.207900       1.973100    
 O    2.297200      -1.741500       1.439400    
 O    2.654200       2.518900     -0.2907000    
 N    2.097800      0.4965000      0.7630000    
 C   -2.995600     -0.9535000     -0.2943000    
 C   -3.879500      0.1145000      0.2801000    
 C   -2.490200      0.4474000     -0.1619000    
 C   -2.497000      -2.004700      0.6396000    
 C   -3.245900      -1.456100      -1.677200    
 C   -4.994000      0.6424000     -0.4924000    
 C   -1.480500      0.7789000      0.8756000    
 C   -6.246500      0.1537000     -0.5714000    
 C   0.8251000      0.8352000       1.367900    
 C   -7.290300      0.8225000      -1.422000    
 C   -6.712700      -1.072500      0.1611000    
 C    3.943000     -0.6458000      0.1089000    
 C    4.047900      0.5897000     -0.3873000    
 C    4.952700      -1.718800     -6.8899997E-02
 C    5.174700       1.073500      -1.223400    
 C    6.272300      -1.149500     -0.6168000    
 C    6.042100     -9.8499998E-02  -1.712700    
 C    2.686500     -0.7399000      0.8636000    
 C    2.861000       1.356900      1.4200000E-02
 H   -4.073100      8.4700003E-02   1.348400    
 H   -2.371700       1.022200      -1.076500    
 H   -2.425000      -1.658400       1.676400    
 H   -3.171000      -2.868500      0.6375000    
 H   -1.503800      -2.351300      0.3341000    
 H   -2.355100      -1.963300      -2.064500    
 H   -4.070100      -2.177800      -1.681700    
 H   -3.492300     -0.6607000      -2.389100    
 H   -4.779700       1.547000      -1.060100    
 H   0.6866000      0.2341000       2.273000    
 H   0.8147000       1.905000       1.602300    
 H   -7.657100      0.1294000      -2.186000    
 H   -8.136900       1.138900     -0.8040000    
 H   -6.904100       1.709000      -1.935800    
 H   -5.927200      -1.530900      0.7688000    
 H   -7.542000     -0.8200000      0.8300000    
 H   -7.060100      -1.827700     -0.5515000    
 H    5.146600      -2.228600      0.8812000    
 H    4.558400      -2.466000     -0.7676000    
 H    4.801800       1.632300      -2.088900    
 H    5.789000       1.760400     -0.6294000    
 H    6.837700     -0.6896000      0.2041000    
 H    6.889300      -1.967000      -1.007000    
 H    5.552400     -0.5793000      -2.569700    
 H    7.004400      0.2837000      -2.071800    


%chk=000083975-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000083975

0 1
O -0.338670 0.365261 0.378985
O -1.728589 -0.374130 2.112975
O 2.290523 -1.705598 1.343229
O 2.357006 2.798494 -0.011978
N 1.978005 0.605177 0.844301
C -3.162365 -2.011902 -0.238818
C -3.936144 -0.708912 0.016674
C -2.385913 -0.655549 -0.236194
C -2.992042 -2.981927 0.928975
C -3.271437 -2.703834 -1.597675
C -4.868316 -0.093070 -0.961787
C -1.509952 -0.245456 0.881491
C -5.953359 0.689281 -0.679344
C 0.666681 0.794872 1.400382
C -6.821154 1.240538 -1.798923
C -6.398906 1.082063 0.717839
C 3.943812 -0.381426 0.035986
C 3.965540 0.929937 -0.354707
C 5.026291 -1.380587 -0.255439
C 5.064103 1.569317 -1.153393
C 6.304197 -0.648610 -0.748485
C 5.972718 0.471982 -1.770654
C 2.681239 -0.640713 0.809010
C 2.716610 1.605938 0.134393
H -4.176191 -0.553196 1.074775
H -2.055313 -0.297316 -1.214830
H -2.884966 -2.454351 1.890907
H -3.872318 -3.649535 0.989058
H -2.094727 -3.613350 0.786012
H -2.406509 -3.374796 -1.753475
H -4.191674 -3.316479 -1.642651
H -3.298307 -1.991273 -2.440200
H -4.654558 -0.293564 -2.022136
H 0.524750 0.189190 2.310313
H 0.512228 1.868416 1.595145
H -7.872323 0.905751 -1.689851
H -6.839765 2.348769 -1.777701
H -6.462608 0.923284 -2.793614
H -5.746672 0.689116 1.513671
H -6.425843 2.185318 0.818560
H -7.429141 0.723144 0.913157
H 5.234959 -1.991803 0.643127
H 4.667309 -2.095830 -1.023914
H 4.636091 2.224088 -1.935928
H 5.656395 2.238706 -0.496092
H 6.826033 -0.201971 0.121060
H 6.999172 -1.379337 -1.201162
H 5.459160 0.023773 -2.644217
H 6.906739 0.929602 -2.144856


