%chk=000172983.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172983

0 1
 O   -2.745700      0.2308000     -0.9131000    
 O    2.758700      0.5315000     -0.7551000    
 O    4.686200      0.1480000      0.3433000    
 O    2.708400     -0.4831000       1.345000    
 N   -5.375800      -1.514400      0.9903000    
 C   -1.557600       2.570200      0.2160000    
 C  -0.7565000       1.434200     -0.3292000    
 C   -1.378500      0.3135000     -0.8695000    
 C   0.6363000       1.502400     -0.2935000    
 C   -1.312000       3.883000     -0.5504000    
 C   -1.317000       2.789400       1.721000    
 C   0.7693000     -0.6715000      -1.339400    
 C  -0.6235000     -0.7398000      -1.374800    
 C    1.399500      0.4494000     -0.7984000    
 C   -3.344700     -0.8551000     -0.2183000    
 C   -4.712800     -0.4199000      0.2820000    
 C    1.569900      -1.807700      -1.884800    
 C   -5.516100      -2.678200      0.1158000    
 C   -6.683700      -1.085600       1.484300    
 C    5.444300     -0.8477000       1.037700    
 C    3.331700      1.1900000E-02  0.4144000    
 C    5.092600      -2.220500      0.4850000    
 C    6.926900     -0.5407000      0.8916000    
 H   -2.628600       2.357800      0.1111000    
 H    1.142800       2.368900      0.1239000    
 H   -1.500800       3.749100      -1.621500    
 H   -1.981600       4.670200     -0.1873000    
 H  -0.2837000       4.241400     -0.4330000    
 H  -0.2886000       3.101500       1.932000    
 H   -1.985800       3.566200       2.107400    
 H   -1.511000       1.869200       2.283300    
 H   -1.115200      -1.609500      -1.803000    
 H   -3.410400      -1.677600     -0.9364000    
 H   -2.721100      -1.172200      0.6285000    
 H   -5.315600     -5.5799998E-02 -0.5611000    
 H   -4.580000      0.4388000      0.9529000    
 H    1.999500      -2.394700      -1.067000    
 H    2.377900      -1.442700      -2.527700    
 H   0.9560000      -2.478300      -2.495800    
 H   -4.559700      -3.184500     -4.7499999E-02
 H   -5.965100      -2.425900     -0.8518000    
 H   -6.154600      -3.434800      0.5886000    
 H   -6.578400     -0.2291000       2.159700    
 H   -7.157500      -1.884500       2.065700    
 H   -7.361200     -0.8022000      0.6706000    
 H    5.193500     -0.8015000       2.104900    
 H    5.199200      -2.242500     -0.6054000    
 H    4.061400      -2.509200      0.7086000    
 H    5.743500      -2.991100      0.9114000    
 H    7.223300     -0.5402000     -0.1632000    
 H    7.149100      0.4588000       1.280600    
 H    7.541100      -1.269600       1.428800    


%chk=000172983-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000172983

0 1
O -2.845903 0.286507 0.214367
O 2.722437 0.207848 -0.650077
O 4.872413 -0.148258 -0.221570
O 3.296276 -0.954730 1.326670
N -6.000125 -1.708106 0.249709
C -1.431631 2.744872 0.422942
C -0.731491 1.421585 0.105472
C -1.455405 0.196697 0.009686
C 0.664636 1.360733 -0.092605
C -1.192928 3.800929 -0.688175
C -0.988800 3.289122 1.808245
C 0.605140 -1.077081 -0.480704
C -0.795844 -1.022410 -0.282003
C 1.308495 0.142290 -0.368517
C -3.642781 -0.946833 0.118933
C -5.096322 -0.544679 0.406541
C 1.304426 -2.384347 -0.792517
C -6.346687 -1.987380 -1.159577
C -7.202564 -1.626937 1.103635
C 6.002116 -0.721161 0.607604
C 3.602417 -0.366046 0.267680
C 6.144008 -2.215160 0.288419
C 7.223350 0.119193 0.232656
H -2.515651 2.540280 0.470939
H 1.271175 2.270718 -0.037536
H -1.528577 3.427491 -1.672369
H -1.749216 4.729742 -0.461630
H -0.121817 4.063853 -0.773051
H 0.094837 3.511323 1.821297
H -1.530100 4.223501 2.048287
H -1.192736 2.554850 2.608120
H -1.362661 -1.955111 -0.358863
H -3.536171 -1.383455 -0.894972
H -3.300452 -1.690198 0.864883
H -5.376691 0.312211 -0.253702
H -5.155189 -0.182732 1.448534
H 1.847153 -2.755829 0.096792
H 2.045587 -2.260056 -1.602939
H 0.580133 -3.156587 -1.101710
H -5.432825 -2.110285 -1.766143
H -6.962374 -1.176827 -1.626531
H -6.917909 -2.930841 -1.220524
H -6.904662 -1.509551 2.160246
H -7.780491 -2.564665 1.015642
H -7.883548 -0.779227 0.837185
H 5.724260 -0.582850 1.669258
H 6.342629 -2.363649 -0.787696
H 5.229259 -2.764834 0.567445
H 6.988183 -2.641659 0.860534
H 7.450811 0.015909 -0.842602
H 7.047775 1.186130 0.450543
H 8.102334 -0.218201 0.810947


