%chk=000004426.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004426

0 1
 O   0.4520000       1.695300       1.712100    
 O    1.809900      -2.577400      0.8323000    
 O   0.2758000       4.335400      0.4789000    
 O   -4.184300       1.701100      0.6099000    
 N    4.119900      -1.461200     -0.1936000    
 N   -1.927800      0.3465000       1.341700    
 N   -3.010900     -0.2824000      0.8328000    
 C    1.735900     -0.1538000      0.8280000    
 C    1.661900      -1.431700     -2.2500001E-02
 C    2.879300      -1.378000      -1.007400    
 C   0.5099000      0.2336000       1.674000    
 C    3.045700     -0.1518000       1.651300    
 C    1.724100       1.037700     -6.6799998E-02
 C   0.2948000      -1.585000     -0.7155000    
 C    2.814800     -0.1382000      -1.967400    
 C    4.289500     -0.3694000      0.7701000    
 C    2.264600       1.114400      -1.336700    
 C  -0.8392000      -1.551700      0.3073000    
 C  -0.8145000     -0.2668000       1.097700    
 C    1.032400       2.074000      0.5252000    
 C    5.326800      -1.668500     -0.9862000    
 C    2.167100       2.344300      -1.987700    
 C   0.9367000       3.299700     -9.2900001E-02
 C    1.523100       3.432400      -1.359900    
 C    6.500800      -2.015100     -0.1230000    
 C    7.629000      -1.297800     -7.1599998E-02
 C   -4.111100      0.4808000      0.4887000    
 C   -5.277300     -0.2698000     -4.4799998E-02
 C   -6.145200      0.3715000     -0.9038000    
 C   -5.454000      -1.583800      0.3357000    
 C   -7.239800     -0.3330000      -1.404800    
 C   -6.548600      -2.288300     -0.1654000    
 C   -7.441500      -1.662900      -1.035800    
 H    2.850600      -2.286200      -1.624800    
 H   0.5852000     -0.1400000       2.701700    
 H    3.000100     -0.9455000       2.408700    
 H    3.168900      0.7889000       2.204100    
 H   0.2573000      -2.546400      -1.243400    
 H   0.1281000     -0.8035000      -1.464700    
 H    2.146100     -0.4011000      -2.798100    
 H    3.788400      7.5900003E-02  -2.417900    
 H    4.546600      0.5662000      0.2578000    
 H    5.114800     -0.5765000       1.461300    
 H  -0.7613000      -2.386300       1.012900    
 H   -1.724200      -1.720200     -0.3076000    
 H    1.855900      -3.366100      0.2654000    
 H    5.560800     -0.7917000      -1.600900    
 H    5.176800      -2.508800      -1.675400    
 H    2.568900       2.469100      -2.989600    
 H    1.458200       4.381100      -1.888300    
 H    6.428800      -2.912500      0.4870000    
 H  -6.3800000E-02   4.042300       1.342500    
 H   -3.027500      -1.293000      0.8378000    
 H    8.446500      -1.605800      0.5710000    
 H    7.756800     -0.3974000     -0.6621000    
 H   -5.998900       1.404600      -1.204500    
 H   -4.809100      -2.099100       1.039000    
 H   -7.934700      0.1535000      -2.083100    
 H   -6.711400      -3.321200      0.1285000    
 H   -8.294700      -2.210900      -1.424500    


%chk=000004426-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004426

0 1
O 0.243590 2.395112 0.515996
O 1.309980 -2.106920 0.176406
O 0.700613 4.973939 -0.915552
O -4.465270 0.595305 2.361191
N 3.900516 -1.463331 0.026706
N -2.002823 0.320474 1.027345
N -3.169497 -0.296914 0.611234
C 1.670499 0.376869 0.295637
C 1.621774 -0.901751 -0.603054
C 3.074755 -1.090594 -1.172442
C 0.292390 0.877752 0.839935
C 2.664599 0.145071 1.471721
C 2.104607 1.516792 -0.608586
C 0.522257 -0.760072 -1.663119
C 3.630762 0.107221 -2.019168
C 4.047979 -0.325562 0.982611
C 3.054824 1.466961 -1.638176
C -0.870156 -0.672881 -0.989785
C -0.928238 0.183694 0.271131
C 1.292656 2.632304 -0.392527
C 5.190539 -2.128212 -0.302028
C 3.269438 2.669418 -2.366116
C 1.491814 3.830524 -1.105428
C 2.519524 3.838048 -2.081654
C 5.756174 -2.881806 0.885427
C 7.027316 -2.761891 1.341709
C -4.358915 -0.160133 1.360502
C -5.509563 -0.981324 0.833305
C -6.821292 -0.526192 1.125065
C -5.339980 -2.192097 0.109247
C -7.944244 -1.250399 0.675515
C -6.466082 -2.919496 -0.335494
C -7.770053 -2.446594 -0.061101
H 3.054490 -1.991618 -1.816647
H 0.228959 0.855850 1.938537
H 2.229802 -0.615934 2.147678
H 2.777007 1.081335 2.048999
H 0.541646 -1.639174 -2.332824
H 0.708829 0.138290 -2.276460
H 3.391088 -0.083029 -3.084619
H 4.738593 0.101013 -1.961600
H 4.597979 0.522384 0.512601
H 4.654043 -0.673441 1.837284
H -1.168680 -1.702509 -0.698711
H -1.612643 -0.314211 -1.734769
H 2.212245 -2.376730 0.540101
H 5.955195 -1.408213 -0.680307
H 4.984457 -2.845686 -1.122168
H 4.001191 2.694850 -3.181893
H 2.682291 4.760289 -2.648302
H 5.057878 -3.578216 1.372920
H 0.008289 4.792517 -0.229480
H -3.210133 -0.818033 -0.273525
H 7.392566 -3.356970 2.185905
H 7.741107 -2.067190 0.880762
H -6.932349 0.391698 1.711593
H -4.338788 -2.603572 -0.069380
H -8.953014 -0.887328 0.899961
H -6.326958 -3.858688 -0.881988
H -8.642586 -3.011498 -0.407420


