%chk=000104335.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104335

0 1
 O   -1.627300      -1.487800      -1.356500    
 O   -3.759000      -1.957500       1.114500    
 O   -4.472400      -1.777400      -1.036200    
 N    4.308200      0.1167000      0.1215000    
 C    2.921300     -3.6499999E-02 -8.4200002E-02
 C    5.121100      0.8201000     -0.8508000    
 C    4.936300     -0.4150000       1.314600    
 C   0.7753000     -0.8670000      0.6519000    
 C    2.146700     -0.7153000      0.8565000    
 C   0.2138000     -0.3364000     -0.4874000    
 C    2.324400      0.4906000      -1.229300    
 C   0.9530000      0.3389000      -1.433900    
 C   -1.250900     -0.4857000     -0.7333000    
 C    5.465600     -9.9600002E-02  -2.006600    
 C    4.730200      0.5332000       2.480200    
 C  -3.0999999E-02  -1.600100       1.673800    
 C   -2.223000      0.4952000     -0.2686000    
 C   -3.524900      0.1229000      6.6000000E-02
 C   -1.829600       1.829200     -0.1610000    
 C   -4.433500       1.084500      0.5080000    
 C   -2.738100       2.790800      0.2811000    
 C   -4.040100       2.418400      0.6157000    
 C   -3.966200      -1.262100     -3.5999998E-02
 H    4.659000       1.752500      -1.194100    
 H    6.061100       1.142200     -0.3838000    
 H    4.607500      -1.433100       1.551000    
 H    6.017100     -0.5154000       1.148700    
 H    2.565700      -1.143700       1.760300    
 H    2.867200       1.030500      -1.996900    
 H   0.4945000      0.7486000      -2.329100    
 H    6.005500     -0.9848000      -1.652400    
 H    4.584700     -0.4508000      -2.551000    
 H    6.111600      0.4216000      -2.720500    
 H    5.145900       1.522000       2.257000    
 H    3.676000      0.6721000       2.735600    
 H    5.240200      0.1499000       3.370000    
 H   0.5955000      -2.011800       2.472600    
 H  -0.7568000     -0.9276000       2.142400    
 H  -0.5603000      -2.442300       1.216100    
 H  -0.8300000       2.164300     -0.4175000    
 H   -5.451000      0.8070000      0.7715000    
 H   -2.432800       3.829900      0.3635000    
 H   -4.747600       3.167300      0.9595000    
 H   -4.056400      -2.889100       1.036600    


%chk=000104335-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104335

0 1
O -1.688817 -0.011052 -2.274596
O -2.639024 -2.194575 -0.399619
O -4.942321 -1.955339 -0.576905
N 4.343927 -0.021958 0.027507
C 2.970138 0.011331 -0.216213
C 5.326611 0.337415 -1.016905
C 4.895767 -0.432920 1.335679
C 0.624591 -0.214877 0.618989
C 2.018966 -0.256285 0.822236
C 0.122446 0.106647 -0.687451
C 2.446649 0.300372 -1.520828
C 1.066645 0.333144 -1.731328
C -1.310128 0.176336 -1.072314
C 5.723543 -0.848891 -1.926542
C 4.994152 0.725293 2.356336
C -0.275679 -0.586695 1.788595
C -2.362495 0.644995 -0.080990
C -3.584291 -0.052584 0.141614
C -2.208273 1.938732 0.476639
C -4.631850 0.559431 0.874336
C -3.249583 2.540861 1.217024
C -4.470082 1.853256 1.410757
C -3.823527 -1.446859 -0.330788
H 4.929996 1.170982 -1.624493
H 6.227671 0.730230 -0.508938
H 4.289782 -1.259265 1.750524
H 5.903618 -0.852501 1.156960
H 2.372108 -0.509466 1.826396
H 3.115334 0.481268 -2.366576
H 0.669432 0.534867 -2.732108
H 6.165964 -1.668792 -1.332114
H 4.844903 -1.252909 -2.458214
H 6.469153 -0.528734 -2.677807
H 5.638161 1.535428 1.969053
H 3.999456 1.155025 2.566438
H 5.427422 0.367186 3.308709
H 0.318008 -1.032286 2.605610
H -0.807529 0.290301 2.198913
H -1.044257 -1.317739 1.482910
H -1.273509 2.482962 0.302237
H -5.563059 0.001128 1.016624
H -3.112846 3.546749 1.629457
H -5.284065 2.318764 1.976350
H -2.836607 -3.089579 -0.785665


