%chk=000024029.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000024029

0 1
 O    1.051500      0.1409000      0.2575000    
 O   0.2404000      0.2171000      -1.929700    
 O   -3.748000       4.192600      0.9304000    
 O   -2.526600      -5.060800      0.1663000    
 N    3.651400      0.6511000       1.241100    
 C    3.447400      0.2066000     -0.1433000    
 C    2.063100      0.6513000     -0.6119000    
 C    4.535900      0.7760000      -1.063600    
 C    5.930200      0.4075000     -0.5640000    
 C    1.661500      9.6299998E-02  -1.950200    
 C  -0.1497000      5.0600000E-02 -0.5454000    
 C    6.094700      0.7986000      0.9004000    
 C    4.958600      0.2393000       1.753300    
 C   -1.117200       1.164500     -0.1487000    
 C  -0.7887000      -1.324100     -0.3540000    
 C   -1.140300       1.637400       1.164900    
 C   -1.502100      -1.916400      -1.397900    
 C   -1.981400       1.713000      -1.098600    
 C  -0.6612000      -1.992100      0.8657000    
 C   -2.023700       2.654100       1.527100    
 C   -2.085600      -3.171200      -1.223100    
 C   -2.864800       2.729900     -0.7365000    
 C   -1.244500      -3.247000       1.040600    
 C   -2.886000       3.200600      0.5764000    
 C   -1.956800      -3.836600     -3.8999999E-03
 C   -4.601700       4.706300     -9.0899996E-02
 C   -2.356200      -5.685500       1.437800    
 H    3.488000     -0.8914000     -0.1553000    
 H    1.974100       1.746100     -0.6071000    
 H    4.449900       1.869200      -1.120000    
 H    4.416600      0.3938000      -2.083800    
 H    6.691900      0.9054000      -1.174000    
 H    6.084200     -0.6730000     -0.6740000    
 H    2.072800      0.6517000      -2.796900    
 H    1.909500     -0.9654000      -2.059300    
 H    2.918000      0.2639000       1.834500    
 H    7.056400      0.4313000       1.276000    
 H    6.114300       1.892500      0.9857000    
 H    5.018900     -0.8551000       1.796500    
 H    5.067400      0.6060000       2.779800    
 H  -0.4849000       1.223200       1.926000    
 H   -1.624400      -1.415500      -2.354300    
 H   -1.990000       1.357300      -2.125300    
 H  -0.1186000      -1.549900       1.696900    
 H   -2.037200       3.015400       2.551800    
 H   -2.641000      -3.624800      -2.039500    
 H   -3.508200       3.107800      -1.523700    
 H   -1.107600      -3.707100       2.013200    
 H   -4.027800       5.181400     -0.8938000    
 H   -5.218800       5.486900      0.3660000    
 H   -5.285400       3.938000     -0.4678000    
 H   -2.872700      -6.650000       1.395900    
 H   -2.827800      -5.104700       2.237700    
 H   -1.301500      -5.896400       1.644400    


%chk=000024029-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000024029

0 1
O 0.866709 1.116990 -0.013513
O -0.059802 0.673382 -2.114672
O -4.808805 3.980489 0.565861
O -1.179298 -5.008235 0.660989
N 3.529547 0.674157 0.953733
C 3.099441 0.052615 -0.317003
C 2.018945 0.937906 -0.955814
C 4.330407 -0.100273 -1.244356
C 5.447809 -0.906907 -0.538940
C 1.373178 0.339236 -2.233725
C -0.352560 0.546575 -0.664769
C 5.805636 -0.277388 0.828732
C 4.535368 -0.117779 1.691931
C -1.536993 1.444362 -0.340755
C -0.525595 -0.927641 -0.286204
C -2.707239 0.964552 0.296704
C -1.157815 -1.821817 -1.189692
C -1.460955 2.814873 -0.682160
C -0.113236 -1.413662 0.973429
C -3.777223 1.832079 0.584126
C -1.357305 -3.170578 -0.847302
C -2.523086 3.698236 -0.403540
C -0.309138 -2.765763 1.336609
C -3.689188 3.201342 0.234779
C -0.933259 -3.647759 0.419324
C -4.768369 5.404439 0.225370
C -0.765265 -5.551877 1.956371
H 2.657711 -0.966008 -0.155918
H 2.431366 1.950047 -1.124726
H 4.707223 0.910602 -1.498787
H 4.038166 -0.603598 -2.187134
H 6.343944 -0.962592 -1.185972
H 5.099943 -1.949225 -0.381569
H 1.729648 0.797412 -3.168252
H 1.510038 -0.760450 -2.269050
H 2.715458 0.938282 1.524735
H 6.547005 -0.903188 1.362001
H 6.254092 0.722431 0.671399
H 4.161471 -1.140409 1.961497
H 4.776044 0.407257 2.634813
H -2.786124 -0.092096 0.570908
H -1.480571 -1.447622 -2.166859
H -0.555609 3.186653 -1.171282
H 0.371071 -0.724906 1.673845
H -4.686467 1.473534 1.075757
H -1.837208 -3.871054 -1.537571
H -2.435363 4.752991 -0.680723
H 0.023373 -3.112301 2.319703
H -3.939241 5.920499 0.747663
H -5.731672 5.809024 0.569191
H -4.669058 5.555384 -0.867258
H -1.049765 -6.613862 1.926009
H -1.290494 -5.048802 2.791604
H 0.329412 -5.462958 2.099862


