%chk=000127561.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127561

0 1
 O  -0.3739000     -0.2763000       1.915800    
 O    1.937100       1.462300       1.615600    
 O   0.6526000      -3.150600     -0.9679000    
 O   -3.295100      -1.082300       1.617700    
 O   0.2653000       2.108400      -2.457700    
 O    4.827400       1.673600      0.3289000    
 O   -6.332000     -0.5813000      0.8452000    
 O    6.880600      0.2046000      0.3113000    
 O    5.570800      -1.678800      0.3284000    
 N   -2.153300     -0.8066000     -0.3862000    
 N  -0.2607000       1.438200     -0.2925000    
 C   9.6500002E-02 -0.7765000      0.6669000    
 C   0.7157000      0.3684000     -0.1780000    
 C  -0.9974000      -1.606700     -5.0700001E-02
 C    2.073400      0.9324000      0.2984000    
 C  -0.4540000      -2.320400      -1.309400    
 C    3.182000     -0.1322000      0.2980000    
 C   -1.509800      -3.166800      -2.014800    
 C   -3.213700     -0.6114000      0.4865000    
 C  -0.3951000       2.212000      -1.427300    
 C   -4.291000      0.2672000     -0.1316000    
 C    4.566900      0.4799000      0.3114000    
 C   -5.455500      0.5434000      0.8207000    
 C   -1.496300       3.228800      -1.288600    
 C    5.727100     -0.4749000      0.2997000    
 C   -6.267700       1.745800      0.3604000    
 H   0.9021000      -1.473900      0.9220000    
 H   0.9053000      3.9999999E-04  -1.191000    
 H   -1.328900      -2.374800      0.6615000    
 H    2.353500       1.768400     -0.3546000    
 H  -9.9799998E-02  -1.587600      -2.041400    
 H   -2.152900     -0.3169000      -1.276700    
 H  -0.8294000       1.644200      0.5237000    
 H    3.098800     -0.7701000       1.184800    
 H    3.111300     -0.7460000     -0.6069000    
 H   -1.070200      -3.694700      -2.868300    
 H   -2.344300      -2.562600      -2.382200    
 H   -1.902600      -3.935900      -1.340700    
 H  -0.7153000      -1.030200       2.426100    
 H    2.793300       1.846400       1.869700    
 H   0.9890000      -3.547400      -1.789500    
 H   -4.647800     -0.2280000      -1.042800    
 H   -3.808500       1.210500     -0.4135000    
 H   -5.105200      0.7229000       1.843200    
 H   -1.182700       4.162600      -1.763700    
 H   -2.393100       2.851900      -1.787200    
 H   -1.731000       3.439900     -0.2417000    
 H   -6.676800       1.582200     -0.6429000    
 H   -5.660500       2.656100      0.3481000    
 H   -7.122800       1.906700       1.025900    
 H   -5.818200      -1.346200       1.155900    
 H    7.661700     -0.3886000      0.3283000    


%chk=000127561-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127561

0 1
O -0.697289 -0.004927 1.755547
O 2.060275 1.729791 1.420638
O 1.131032 -2.549986 -0.990513
O -3.263774 -1.288213 1.350161
O -1.426868 1.429502 -2.023220
O 4.866120 1.331861 0.838876
O -5.700261 -0.063747 1.755796
O 6.831074 -0.555759 0.612250
O 5.308865 -1.981313 -0.424016
N -2.145653 -0.848960 -0.640994
N -0.101786 1.824806 -0.152416
C 0.026381 -0.584331 0.627002
C 0.670715 0.576580 -0.213762
C -0.914217 -1.526101 -0.191374
C 2.126693 0.953317 0.171501
C -0.239515 -2.185615 -1.420276
C 3.076081 -0.252545 0.304884
C -1.013963 -3.412930 -1.921687
C -3.249445 -0.769817 0.165397
C -1.077046 2.182033 -1.038407
C -4.466156 -0.043395 -0.396102
C 4.514703 0.180498 0.473703
C -5.182260 0.803517 0.694627
C -1.752200 3.523526 -0.797706
C 5.571338 -0.908113 0.164751
C -6.376633 1.576495 0.127572
H 0.836636 -1.236944 0.999573
H 0.694472 0.258436 -1.271944
H -1.228559 -2.322799 0.510812
H 2.507783 1.612364 -0.640596
H -0.171032 -1.435665 -2.239362
H -2.043390 -0.171250 -1.425284
H 0.082946 2.382688 0.687677
H 2.808533 -0.842930 1.207585
H 2.971190 -0.963852 -0.534469
H -0.558087 -3.825673 -2.842011
H -2.057053 -3.139928 -2.158422
H -1.028404 -4.202912 -1.148964
H -1.492195 -0.573021 1.970744
H 2.967862 2.101590 1.582805
H 1.499543 -3.217833 -1.621380
H -5.188627 -0.801745 -0.758431
H -4.175757 0.586306 -1.257985
H -4.442747 1.522370 1.120430
H -1.750572 4.101444 -1.737052
H -2.808089 3.355346 -0.517795
H -1.266990 4.117168 -0.005297
H -7.109717 0.877593 -0.313490
H -6.057423 2.298575 -0.646690
H -6.879081 2.127520 0.940695
H -4.948930 -0.680721 2.003721
H 7.486375 -1.272802 0.389200


