%chk=000226810.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226810

0 1
 O    2.995600       1.465000      0.6925000    
 N    5.629800     -0.8720000     -0.3899000    
 C   -2.453500       2.411600     -0.5515000    
 C   -3.426900       1.341200     -2.0000001E-03
 C  -0.9938000       2.159200     -0.2189000    
 C   -3.273100     -5.4299999E-02 -0.6316000    
 C   -2.863500       3.802700     -4.7899999E-02
 C   -4.310800      -1.069700     -0.2259000    
 C  -0.5843000       2.092000       1.112900    
 C  -6.2799998E-02   1.992900      -1.244200    
 C    4.845000     -4.8400000E-02  0.5177000    
 C    3.748000      0.6860000     -0.2363000    
 C    1.687500       1.692400      0.3937000    
 C    4.916100      -2.109400     -0.7151000    
 C    6.938500      -1.181300      0.1909000    
 C   0.7565000       1.858700       1.419200    
 C    1.277800       1.759600     -0.9379000    
 C   -4.095000      -1.880400      0.8886000    
 C   -5.487100      -1.198300     -0.9646000    
 C    5.695100      -2.945600      -1.716200    
 C    6.794800      -1.996200       1.465200    
 C   -5.055200      -2.819800       1.264300    
 C   -6.447400      -2.137700     -0.5888000    
 C   -6.231300      -2.948400      0.5257000    
 H   -2.567000       2.426100      -1.644100    
 H   -4.454600       1.683100     -0.1870000    
 H   -3.334500       1.256200       1.088300    
 H   -2.278600     -0.4545000     -0.3951000    
 H   -3.288600      4.1900001E-02  -1.725600    
 H   -3.876600       4.049200     -0.3844000    
 H   -2.189200       4.576000     -0.4331000    
 H   -2.855300       3.864500       1.045800    
 H    4.396500     -0.6213000       1.339900    
 H    5.470800      0.7180000      0.9955000    
 H   -1.292300       2.217600       1.927100    
 H  -0.3662000       2.048200      -2.286200    
 H    3.097100     -3.9900001E-02 -0.7350000    
 H    4.185700       1.354900     -0.9874000    
 H    3.970400      -1.865400      -1.211300    
 H    4.640900      -2.709900      0.1591000    
 H    7.461700     -0.2441000      0.4217000    
 H    7.596400      -1.689200     -0.5221000    
 H    1.070000       1.807000       2.458300    
 H    1.973800       1.665000      -1.766100    
 H   -3.183600      -1.787700       1.473200    
 H   -5.667800     -0.5709000      -1.833300    
 H    6.040200      -2.344700      -2.564800    
 H    5.047400      -3.732700      -2.118500    
 H    6.555500      -3.448900      -1.265300    
 H    7.790200      -2.127500       1.907000    
 H    6.410000      -3.005300       1.294100    
 H    6.188100      -1.507800       2.232700    
 H   -4.887400      -3.450600       2.132400    
 H   -7.363600      -2.237700      -1.163400    
 H   -6.979100      -3.679700      0.8184000    


%chk=000226810-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226810

0 1
O 2.615970 0.204176 0.934016
N 5.958864 -0.969907 -0.244457
C -2.530791 2.364450 -0.602879
C -3.719269 1.480484 -0.127231
C -1.169041 1.773080 -0.227127
C -3.753054 0.076039 -0.790600
C -2.681879 3.810871 -0.059233
C -4.923660 -0.763086 -0.301185
C -0.823409 1.523948 1.130602
C -0.200131 1.476404 -1.213646
C 4.888837 -0.575033 0.703194
C 3.658877 -0.075338 -0.069335
C 1.390776 0.717375 0.477733
C 5.830049 -2.376458 -0.705959
C 7.323149 -0.558353 0.172489
C 0.433859 1.003379 1.484343
C 1.072996 0.954769 -0.881259
C -4.788417 -1.609116 0.830463
C -6.190741 -0.687983 -0.936587
C 6.667287 -2.685018 -1.960848
C 7.905936 -1.276409 1.421157
C -5.885799 -2.355938 1.315910
C -7.291775 -1.432347 -0.455984
C -7.143474 -2.269435 0.674405
H -2.579079 2.414714 -1.711274
H -4.669730 2.007078 -0.347627
H -3.679854 1.360868 0.974051
H -2.797091 -0.438966 -0.578378
H -3.811454 0.208110 -1.889589
H -3.642181 4.254003 -0.383242
H -1.860980 4.457641 -0.417552
H -2.659838 3.822416 1.046581
H 4.578398 -1.403590 1.380564
H 5.250836 0.245173 1.349174
H -1.546465 1.741939 1.926048
H -0.438828 1.657264 -2.269418
H 3.298930 -0.843050 -0.784689
H 3.910504 0.844767 -0.632288
H 4.763036 -2.546598 -0.945050
H 6.085967 -3.107105 0.102409
H 7.294575 0.531989 0.360282
H 8.005733 -0.704268 -0.684906
H 0.700615 0.813408 2.528897
H 1.793125 0.742215 -1.677002
H -3.813325 -1.685498 1.328384
H -6.311767 -0.045145 -1.818091
H 6.434097 -1.961986 -2.762435
H 6.442020 -3.703345 -2.327380
H 7.752588 -2.638398 -1.759210
H 8.903087 -0.865254 1.665842
H 8.022871 -2.362258 1.251392
H 7.255631 -1.135958 2.304250
H -5.760119 -3.007040 2.188849
H -8.261268 -1.363929 -0.963160
H -7.994897 -2.850054 1.047286


