%chk=000226694.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226694

0 1
 O   -1.147700       2.838800      0.6107000    
 O   0.9517000       3.440000      0.3481000    
 O    3.871000      -1.945800     -0.3735000    
 O    4.395600      0.1895000     -0.3177000    
 N   5.5399999E-02   2.570700      0.4041000    
 N    3.554700     -0.7380000     -0.2703000    
 C   -1.130300      -2.331900      0.2270000    
 C   -1.990100      0.5738000      0.4703000    
 C   -2.599600      -1.847100      0.1423000    
 C   -2.846000     -0.5937000      0.9705000    
 C  -0.5393000      0.1758000      0.2760000    
 C  -0.1331000      -1.169700      0.1346000    
 C   -2.560000       1.177000     -0.8204000    
 C  -0.9291000      -3.346400     -0.9219000    
 C  -0.9095000      -3.065500       1.569000    
 C   0.4249000       1.202100      0.2233000    
 C    1.241200      -1.434200     -3.9999999E-02
 C   -2.450400      0.1741000      -1.961100    
 C   -4.005400       1.605500     -0.6058000    
 C    1.774100      0.9142000      3.7999999E-02
 C    2.182800     -0.4054000     -9.2699997E-02
 C    2.789000       2.016500     -1.0800000E-02
 H   -2.102800       1.231800       1.338400    
 H   -3.238200      -2.633700      0.5731000    
 H   -2.962400      -1.808500     -0.8768000    
 H   -3.914500     -0.3664000       1.005900    
 H   -2.578800     -0.8061000       2.015000    
 H   -2.014300       2.052200      -1.180500    
 H  -0.9712000      -2.854800      -1.900500    
 H   3.1599998E-02  -3.868000     -0.8574000    
 H   -1.707800      -4.118400     -0.9023000    
 H   -1.004300      -2.389600       2.425900    
 H   -1.632100      -3.879000       1.701400    
 H   9.0300001E-02  -3.512100       1.625100    
 H    1.560700      -2.470600     -0.1183000    
 H   -1.546800     -0.4325000      -1.999200    
 H   -2.414600      0.7526000      -2.896800    
 H   -3.353100     -0.4283000      -2.093700    
 H   -4.115100       2.210700      0.3002000    
 H   -4.332900       2.226100      -1.448600    
 H   -4.706000      0.7666000     -0.5585000    
 H    2.911500       2.470000      0.9803000    
 H    3.796900       1.956300     -0.3969000    
 H    2.478200       2.727700     -0.7892000    


%chk=000226694-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226694

0 1
O 0.069970 3.375945 -0.638615
O -0.499543 2.892203 1.513502
O 3.825798 -2.026963 -0.742765
O 4.553502 0.025739 -0.094322
N -0.038422 2.562124 0.355946
N 3.607457 -0.817685 -0.339217
C -1.041137 -2.451387 0.294925
C -2.060684 0.481060 0.391450
C -2.533919 -2.053706 0.144681
C -2.888898 -0.741426 0.866636
C -0.579163 0.125114 0.223639
C -0.120070 -1.224391 0.114854
C -2.646966 1.220722 -0.882650
C -0.731693 -3.556938 -0.753948
C -0.785385 -3.028151 1.723433
C 0.414648 1.150091 0.169084
C 1.258151 -1.453093 -0.075298
C -2.806489 0.341046 -2.145185
C -3.981216 1.923341 -0.533581
C 1.811171 0.964587 -0.005933
C 2.191368 -0.402855 -0.140716
C 2.791626 2.121488 -0.015941
H -2.118113 1.237040 1.199292
H -3.154391 -2.878661 0.545828
H -2.774201 -1.972582 -0.929327
H -3.964338 -0.523032 0.735450
H -2.736105 -0.872765 1.955629
H -1.928316 2.019096 -1.148463
H -0.781235 -3.158375 -1.783638
H 0.262169 -4.016512 -0.609980
H -1.480684 -4.365203 -0.663085
H -1.045055 -2.299311 2.511902
H -1.396874 -3.936817 1.875995
H 0.276313 -3.303609 1.858424
H 1.644512 -2.469603 -0.174705
H -1.881481 -0.215860 -2.382681
H -3.042412 0.982058 -3.014565
H -3.635032 -0.382552 -2.038561
H -3.864918 2.604011 0.329933
H -4.332419 2.524253 -1.392302
H -4.779020 1.196345 -0.293027
H 3.470841 2.056299 0.850270
H 3.440066 2.079743 -0.907245
H 2.284790 3.095471 -0.008824


