%chk=000004735.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004735

0 1
 O    3.666900       1.641700     -0.1035000    
 O   -3.664000       1.631300     -0.1582000    
 N    9.199300      -1.360500       1.307200    
 N   -8.576100      -2.525100     -0.6091000    
 N    8.536000      -2.439000     -0.6569000    
 N   -9.144600      -1.289000       1.290800    
 C  -3.5000001E-03   1.023900     -0.7507000    
 C    1.255400       1.640000     -0.1334000    
 C   -1.269600       1.651500     -0.1705000    
 C    2.532300       1.051900     -0.7215000    
 C   -2.526800       1.015800     -0.7470000    
 C    4.795100      0.8679000     -1.3100000E-02
 C   -4.793600      0.8631000     -4.4399999E-02
 C    5.053900     -0.1033000     -0.9803000    
 C   -5.690300       1.092000      0.9993000    
 C    5.685200       1.053500       1.044800    
 C   -5.047600     -0.1459000     -0.9736000    
 C    7.092700     -0.7038000      0.1682000    
 C   -7.094800     -0.6972000      0.1848000    
 C    6.202700     -0.8891000     -0.8896000    
 C   -6.840900      0.3118000       1.113900    
 C    6.833900      0.2675000       1.135500    
 C   -6.198100     -0.9260000     -0.8589000    
 C    8.291000      -1.522500      0.2627000    
 C   -8.294700      -1.510400      0.3037000    
 H   1.2200000E-02   1.167000      -1.838000    
 H  -8.1000002E-03 -5.7100002E-02 -0.5660000    
 H    1.257500       2.726700     -0.2844000    
 H    1.254500       1.489300      0.9534000    
 H   -1.278700       1.545500      0.9216000    
 H   -1.283500       2.730800     -0.3671000    
 H    2.500900     -3.2900002E-02 -0.5548000    
 H    2.570600       1.249200      -1.799200    
 H   -2.489500     -5.9200000E-02 -0.5276000    
 H   -2.559300       1.164600      -1.832500    
 H    4.401900     -0.2599000      -1.834500    
 H   -5.497300       1.876900       1.725400    
 H    5.488100       1.809000       1.800500    
 H   -4.389700     -0.3374000      -1.816200    
 H    6.377600      -1.632200      -1.662900    
 H   -7.518100      0.5165000       1.938500    
 H    7.491700      0.4532000       1.977300    
 H   -6.350600      -1.692200      -1.611100    
 H    10.03070      -1.940600       1.355000    
 H    9.089000     -0.6835000       2.051700    
 H   -9.419700      -3.080600     -0.5104000    
 H   -7.980300      -2.761300      -1.392700    
 H    9.418500      -2.905600     -0.4196000    
 H   -9.919600      -1.955800       1.204100    


%chk=000004735-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004735

0 1
O 3.692687 0.814830 0.772179
O -3.702247 0.866149 0.647847
N 10.081230 0.233391 -0.167981
N -9.357943 -1.771567 -1.245737
N 9.286880 -1.858131 -1.091090
N -10.028656 0.396440 -0.402665
C 0.000903 0.164211 0.079042
C 1.277979 0.783910 0.690918
C -1.287584 0.800683 0.647939
C 2.548785 0.150813 0.120015
C -2.547745 0.177377 0.043381
C 4.982969 0.395873 0.417566
C -4.986644 0.464050 0.255242
C 5.268410 -0.615699 -0.536471
C -6.058965 1.167291 0.864068
C 6.043543 1.052241 1.089484
C -5.256529 -0.561636 -0.684158
C 7.681662 -0.294988 -0.160463
C -7.677799 -0.198496 -0.383877
C 6.608330 -0.950229 -0.812477
C -7.383787 0.838639 0.544146
C 7.376272 0.707089 0.801610
C -6.597622 -0.882104 -0.994266
C 9.084025 -0.691433 -0.505983
C -9.111734 -0.512213 -0.680873
H 0.019948 0.289699 -1.023924
H -0.008840 -0.929143 0.271681
H 1.301259 1.873093 0.496983
H 1.274519 0.652157 1.789609
H -1.318679 0.677117 1.747125
H -1.294316 1.888558 0.445767
H 2.580325 -0.938621 0.332079
H 2.608506 0.299957 -0.978686
H -2.601405 -0.908820 0.268606
H -2.568500 0.312635 -1.058755
H 4.465511 -1.140341 -1.062261
H -5.824784 1.961149 1.579758
H 5.799843 1.814313 1.835803
H -4.446405 -1.101324 -1.182768
H 6.858383 -1.733792 -1.534341
H -8.226961 1.373970 0.990575
H 8.173852 1.199086 1.370820
H -6.782500 -1.647429 -1.757793
H 11.060152 0.008597 -0.331413
H 9.852946 1.182523 0.117783
H -10.303863 -2.031464 -1.516540
H -8.643362 -2.495353 -1.260971
H 10.285635 -2.032805 -1.327512
H -10.999083 0.080248 -0.608320


