%chk=000130398.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130398

0 1
 O  -0.7819000       2.143700      0.6830000    
 O   -1.966600      -2.560200      0.6756000    
 O   -3.275200       1.531100     -0.4341000    
 O   -4.416500      -1.070600      0.2154000    
 N    1.061000     -0.3885000      0.6722000    
 C    1.265700      0.9755000       1.199100    
 C  -0.3550000     -0.7666000      0.6097000    
 C    1.742500     -0.5899000     -0.6056000    
 C   0.6189000       2.130700      0.4240000    
 C  -0.5748000      -2.279200      0.5144000    
 C    3.223200     -0.3784000     -0.4523000    
 C   -1.484100       3.073300     -0.1394000    
 C   -2.690200      -2.557600     -0.5575000    
 C    3.758000      0.8892000     -0.6425000    
 C    4.038700      -1.453400     -0.1229000    
 C   -2.974200       2.837700      5.7200000E-02
 C   -4.170000      -2.406400     -0.2313000    
 C   -4.670400       1.234100     -0.3771000    
 C   -4.852100     -0.2048000     -0.8358000    
 C    5.131700       1.085300     -0.5008000    
 C    5.412500      -1.257300      1.8800000E-02
 C    5.958900      1.2100000E-02 -0.1701000    
 H    2.323100       1.184900       1.379200    
 H   0.8408000      0.9814000       2.213400    
 H  -0.8626000     -0.2676000     -0.2244000    
 H  -0.8700000     -0.4306000       1.519800    
 H    1.344300      5.5399999E-02  -1.398600    
 H    1.594900      -1.613000     -0.9714000    
 H    1.038100       3.078900      0.7798000    
 H   0.8096000       2.060100     -0.6507000    
 H  -0.2064000      -2.712300     -0.4215000    
 H  -5.4000001E-02  -2.777300       1.339600    
 H   -1.218600       2.907700      -1.189700    
 H   -1.213200       4.092500      0.1543000    
 H   -2.508700      -3.512700      -1.060800    
 H   -2.351300      -1.738500      -1.200100    
 H    3.137400       1.733000     -0.9262000    
 H    3.624200      -2.446200      2.8800000E-02
 H   -3.234100       2.885800       1.120400    
 H   -3.549200       3.584500     -0.5006000    
 H   -4.798800      -2.650500      -1.094900    
 H   -4.443000      -3.073400      0.5931000    
 H   -5.204500       1.912700      -1.050400    
 H   -5.031700       1.364200      0.6489000    
 H   -5.909600     -0.4105000      -1.030200    
 H   -4.269400     -0.3871000      -1.746000    
 H    5.558100       2.072500     -0.6538000    
 H    6.056700      -2.092900      0.2766000    
 H    7.028700      0.1645000     -6.1099999E-02


%chk=000130398-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130398

0 1
O -0.843106 2.248865 1.152956
O -1.886651 -2.765355 0.687737
O -3.152371 1.630138 -0.591029
O -4.400205 -1.166056 -0.088720
N 0.925234 -0.216242 0.763349
C 1.197178 0.988559 1.577881
C -0.474126 -0.718230 0.802489
C 1.515222 -0.187620 -0.592011
C 0.618680 2.322064 1.054810
C -0.505401 -2.261504 0.745913
C 3.043127 -0.213811 -0.593218
C -1.548264 3.211423 0.308114
C -2.497974 -2.699256 -0.642969
C 3.775158 0.522979 -1.556576
C 3.752557 -1.012732 0.339275
C -3.017880 2.815652 0.259567
C -4.010774 -2.531937 -0.459076
C -4.542172 1.168880 -0.696304
C -4.533271 -0.257523 -1.233332
C 5.187283 0.455746 -1.599125
C 5.162432 -1.080180 0.302009
C 5.886203 -0.347869 -0.669537
H 2.294648 1.109668 1.670329
H 0.798564 0.813992 2.594119
H -1.106739 -0.281969 -0.001163
H -0.940543 -0.389682 1.744993
H 1.166785 0.684301 -1.200372
H 1.147685 -1.085697 -1.126622
H 1.007458 3.167524 1.666501
H 0.923398 2.498109 -0.000892
H 0.087583 -2.649521 -0.111934
H -0.080389 -2.682961 1.672113
H -1.130233 3.207190 -0.722544
H -1.452273 4.240165 0.723769
H -2.289167 -3.644973 -1.193245
H -2.089119 -1.854788 -1.236427
H 3.237420 1.151590 -2.278472
H 3.177887 -1.562476 1.093488
H -3.380643 2.596892 1.286588
H -3.613638 3.660776 -0.156358
H -4.543118 -2.855911 -1.381493
H -4.335629 -3.166538 0.383064
H -5.107636 1.842139 -1.379143
H -5.037978 1.170462 0.297355
H -5.482710 -0.474264 -1.772220
H -3.690298 -0.363788 -1.949103
H 5.739676 1.031333 -2.350940
H 5.698436 -1.702337 1.028304
H 6.980592 -0.399926 -0.698399


