%chk=000124305.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124305

0 1
 O   -3.634400     -0.9501000     -0.8079000    
 O   -4.734800       2.019400      0.8158000    
 O   -5.789400     -0.6372000       2.034500    
 O   -4.677200      -3.559600      -1.071500    
 O   -2.212600       2.835200      -1.147900    
 O    2.585600     -0.8712000     -0.2830000    
 O    9.057600     -0.4580000      0.3681000    
 O    7.505200      -2.079300      1.3000000E-02
 N   -2.021900      0.6775000     -0.3436000    
 N  -0.1317000       2.134400     -0.5613000    
 N    1.933700       1.338700      5.6499999E-02
 C   -4.191000      0.7119000      0.8027000    
 C   -5.288200     -0.3274000      0.7487000    
 C   -3.429500      0.4346000     -0.4840000    
 C   -4.548700      -1.509600      0.1485000    
 C   -5.463900      -2.506300     -0.5389000    
 C   -1.206900     -0.3222000      0.1466000    
 C   -1.495700       1.934100     -0.7092000    
 C   0.1072000     -0.1561000      0.2994000    
 C   0.5954000       1.172500     -9.8700002E-02
 C    4.282300      0.8053000      0.1417000    
 C    2.860100      0.3019000     -4.4700000E-02
 C    5.343200     -0.2920000      4.0500000E-02
 C    6.768200      0.2063000      0.2747000    
 C    7.787600     -0.9029000      0.2000000    
 H   -3.576500      0.5937000       1.702700    
 H   -6.120600      1.0200000E-02  0.1193000    
 H   -3.824100       1.025600      -1.319000    
 H   -3.951900      -2.033800      0.9061000    
 H   -6.186500      -2.935800      0.1608000    
 H   -6.007700      -2.045400      -1.370100    
 H   -5.287900       2.130800      2.4000000E-02
 H   -6.439300      -1.353100       1.932800    
 H   -1.666900      -1.248000      0.4700000    
 H   -4.034900      -3.164300      -1.685400    
 H   0.6799000     -0.9134000      0.8120000    
 H    2.289200       2.290100      9.2000002E-03
 H    4.343500       1.286200       1.125600    
 H    4.476100       1.572600     -0.6175000    
 H    5.279500     -0.7663000     -0.9476000    
 H    5.111200      -1.082300      0.7667000    
 H    6.840100      0.6652000       1.266900    
 H    7.023200      0.9558000     -0.4826000    
 H    9.710900      -1.188200      0.3200000    


%chk=000124305-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124305

0 1
O -4.003890 -0.988720 -0.924889
O -4.847851 2.038282 0.832421
O -5.825827 -0.686807 2.228915
O -5.195405 -3.621073 -1.151247
O -2.304097 2.668693 0.130680
O 2.937725 -1.139027 -0.712206
O 9.261490 -0.029766 0.609718
O 7.755467 -1.426146 1.694369
N -2.084793 0.407970 -0.444754
N -0.137491 1.784914 -0.071373
N 2.002279 0.957056 -0.224577
C -4.294746 0.705914 0.797886
C -5.437745 -0.326470 0.873389
C -3.585649 0.356449 -0.550921
C -4.850449 -1.566460 0.182706
C -5.857539 -2.504960 -0.472744
C -1.293689 -0.687723 -0.691086
C -1.515429 1.697685 -0.109810
C 0.089900 -0.598893 -0.627601
C 0.624408 0.694357 -0.312949
C 4.458472 0.746722 -0.300706
C 3.084315 0.081551 -0.426383
C 5.507574 -0.205540 0.313914
C 6.924868 0.389659 0.222118
C 7.964013 -0.465840 0.923081
H -3.589837 0.525607 1.638583
H -6.296003 0.080146 0.296444
H -3.886686 1.069907 -1.340107
H -4.197094 -2.122636 0.882851
H -6.489315 -2.961513 0.306446
H -6.498757 -1.928812 -1.173126
H -4.067514 2.650267 0.670529
H -6.201542 0.116370 2.670251
H -1.825387 -1.607958 -0.943164
H -4.625118 -3.244715 -1.869453
H 0.739105 -1.452144 -0.813133
H 2.198916 1.935447 0.013695
H 4.390497 1.685281 0.283533
H 4.775230 1.032015 -1.325793
H 5.463349 -1.174610 -0.212674
H 5.259477 -0.416714 1.369645
H 6.966695 1.397379 0.683879
H 7.242034 0.526848 -0.828934
H 9.923540 -0.592490 1.096478


