%chk=000023307.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023307

1 1
 O    5.920900      0.2730000      1.6700000E-02
 O    5.002300      -2.331300     -0.2824000    
 O   -4.529200      -2.439100     -0.2680000    
 O   -6.118200     -0.1758000     -4.6000001E-03
 N   1.7100001E-02   1.619200      0.1862000    
 C  -0.4931000      0.3420000      4.0700000E-02
 C    1.358100       1.835600      0.2071000    
 C    2.290600      0.8087000      8.6800002E-02
 C   -1.926000      0.1681000      2.4499999E-02
 C    1.827000     -0.5016000     -6.3000001E-02
 C   0.4464000     -0.7207000     -8.4600002E-02
 C   -2.760600       1.299000      0.1571000    
 C  -0.8121000       2.681500      0.3112000    
 C   -2.187100       2.553800      0.3004000    
 C    3.673500       1.056500      0.1123000    
 C   -2.573900      -1.084500     -0.1186000    
 C    1.872100       3.244000      0.3691000    
 C    2.754000      -1.551800     -0.1864000    
 C   -4.160500       1.168600      0.1455000    
 C    4.585000      8.0000004E-03 -1.0600000E-02
 C    4.125200      -1.296500     -0.1601000    
 C   -3.966400      -1.206300     -0.1292000    
 C   -4.760700     -7.8100003E-02  3.0000000E-03
 C    6.553400      0.5449000      -1.232500    
 C    5.423600      -2.969900      0.9215000    
 C   -4.792100      -3.170000      0.9281000    
 C   -6.769300     -7.7000000E-02  -1.270300    
 H   9.6500002E-02  -1.744300     -0.2014000    
 H  -0.4156000       3.682200      0.4351000    
 H   -2.800800       3.445000      0.4069000    
 H    4.123300       2.032700      0.2331000    
 H   -1.995200      -1.998900     -0.2264000    
 H    2.406000      -2.576500     -0.3047000    
 H    2.942300       3.420600      0.3220000    
 H    1.473500       3.876000     -0.4338000    
 H    1.560500       3.638800       1.343300    
 H   -4.792900       2.049200      0.2496000    
 H    6.118800       1.436000      -1.696400    
 H    6.460900     -0.3129000      -1.906200    
 H    7.614800      0.7300000      -1.045900    
 H    4.567300      -3.412100       1.440600    
 H    5.934100      -2.257700       1.577300    
 H    6.123800      -3.767600      0.6592000    
 H   -5.244400      -4.126600      0.6526000    
 H   -5.492000      -2.623300       1.567900    
 H   -3.861400      -3.366000       1.470000    
 H   -6.574300      0.8987000      -1.726300    
 H   -7.846000     -0.1798000      -1.110400    
 H   -6.436400     -0.8777000      -1.938300    


%chk=000023307-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023307

1 1
O 5.985011 0.297453 -0.075151
O 4.891250 -2.432070 -0.316794
O -4.433746 -2.455896 -0.259002
O -6.199093 -0.087096 -0.119262
N 0.033949 1.779383 0.326503
C -0.504438 0.470852 0.104762
C 1.417535 2.012121 0.380423
C 2.324734 0.937227 0.178247
C -1.957044 0.289231 0.077067
C 1.800467 -0.401974 -0.055595
C 0.398466 -0.582347 -0.079698
C -2.827520 1.422499 0.234548
C -0.862471 2.871726 0.487798
C -2.221424 2.711891 0.439684
C 3.751477 1.112316 0.156321
C -2.551372 -0.992260 -0.081372
C 1.877421 3.421898 0.658580
C 2.697800 -1.499554 -0.217146
C -4.235394 1.262216 0.163891
C 4.612621 0.037813 -0.046536
C 4.079543 -1.315165 -0.170368
C -3.945947 -1.155086 -0.110690
C -4.808549 0.000533 -0.046350
C 6.702051 -0.069245 -1.331862
C 5.947452 -2.670666 0.711837
C -5.374977 -2.941035 0.792030
C -6.767301 -0.703929 -1.352784
H 0.004285 -1.583766 -0.256876
H -0.412518 3.846925 0.642987
H -2.850651 3.597671 0.564189
H 4.218504 2.094340 0.253832
H -1.962578 -1.909660 -0.153867
H 2.313043 -2.516233 -0.343033
H 2.969264 3.470334 0.737494
H 1.577233 4.123234 -0.142963
H 1.473120 3.804261 1.614404
H -4.900646 2.127677 0.244398
H 6.368759 0.596399 -2.147518
H 6.523762 -1.123957 -1.602920
H 7.764914 0.102638 -1.112843
H 5.462013 -2.998835 1.647319
H 6.549948 -1.765000 0.889168
H 6.563558 -3.481560 0.299874
H -5.737299 -3.910625 0.423082
H -6.212247 -2.237876 0.937666
H -4.822346 -3.076106 1.738629
H -6.593128 -0.028183 -2.208609
H -7.844358 -0.793446 -1.154619
H -6.320333 -1.692967 -1.551177


