%chk=000131454.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131454

0 1
 O    3.759300     -0.6768000      -1.057700    
 O   0.9575000      -1.777600      0.7425000    
 O    1.597200      0.7069000       1.563900    
 O    2.731600       3.078900      0.3236000    
 O    5.417100       2.562900     -0.7040000    
 O    5.694900     -6.5200001E-02  0.1620000    
 O    1.777800      -2.216200      -1.372000    
 O   -5.527400       2.646300     -0.8671000    
 N   -3.385000      -1.305700     -0.4114000    
 N   -2.346200      0.6244000      0.6413000    
 N   -5.167000     -0.2518000      -1.273000    
 N   -3.553600       2.679300      0.3475000    
 N   -1.535700       2.583600       1.561800    
 C    2.293300      0.7257000      0.3183000    
 C    3.376800       1.805400      0.3667000    
 C    2.894500     -0.6555000      7.5900003E-02
 C    4.317600       1.667500     -0.8296000    
 C   -2.464500      -2.395400     -8.3300002E-02
 C   -1.027700      -2.159000     -0.5824000    
 C  -0.1077000      -2.686200      0.5236000    
 C    4.849800      0.2392000     -0.9462000    
 C   -2.288100      -2.611000       1.388700    
 C   -1.001600      -2.762300       1.716600    
 C    1.831600      -1.638700     -0.2947000    
 C   -3.287700     -1.6000000E-03 -6.9399998E-02
 C   -4.544600      -1.411500      -1.144100    
 C   -4.374500      0.6325000     -0.5968000    
 C    6.202500      -1.388100      7.6800004E-02
 C   -4.559500       2.056700     -0.4020000    
 C   -2.530800       1.993500      0.8243000    
 H    1.556900      0.9744000     -0.4561000    
 H    3.938000       1.773200       1.308300    
 H    3.418000      -1.047800      0.9559000    
 H    3.777200       1.934800      -1.746500    
 H   -2.877000      -3.308400     -0.5308000    
 H  -0.8667000      -2.715200      -1.514500    
 H  -0.8261000      -1.108300     -0.8216000    
 H   0.2853000      -3.685000      0.2968000    
 H    5.451700      0.1637000      -1.860000    
 H   -3.103300      -2.665300       2.096500    
 H  -0.6511000      -2.954300       2.720700    
 H    2.238000      0.4950000       2.264000    
 H    2.124700       3.123300       1.082300    
 H    5.052400       3.458400     -0.6005000    
 H   -4.883500      -2.352700      -1.555300    
 H   -1.537500      0.1601000       1.040700    
 H    5.408000      -2.133600      0.1696000    
 H    6.901100      -1.536300      0.9050000    
 H    6.748000      -1.534600     -0.8607000    
 H   -1.552700       3.576800       1.766300    
 H  -0.7516000       2.047500       1.917300    


%chk=000131454-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131454

0 1
O 3.641944 -0.481014 -1.187718
O 0.740394 -1.740689 0.622032
O 1.313591 0.681324 1.581528
O 2.751588 3.098756 0.835895
O 5.284036 2.776293 -0.389558
O 5.557344 -0.002615 0.194937
O 1.898621 -2.631364 -1.201668
O -5.136895 3.006536 -0.936382
N -3.514351 -1.339680 -0.260704
N -2.060977 0.573723 0.482664
N -5.257825 -0.101057 -1.087841
N -3.007885 2.763191 0.032284
N -0.887616 2.549188 1.023808
C 2.137579 0.735819 0.355384
C 3.270046 1.742157 0.624032
C 2.789427 -0.635990 -0.002555
C 4.195129 1.839618 -0.601789
C -2.719951 -2.533421 0.086790
C -1.315628 -2.621195 -0.612749
C -0.280345 -2.864269 0.520895
C 4.776161 0.451472 -0.917263
C -2.397274 -2.636548 1.574260
C -1.074061 -2.834432 1.804995
C 1.809715 -1.768466 -0.318337
C -3.198739 0.004036 -0.069699
C -4.790033 -1.335245 -0.888152
C -4.266395 0.763451 -0.579104
C 6.496983 -1.087776 -0.143411
C -4.221759 2.241594 -0.529686
C -2.031763 1.995431 0.492328
H 1.515512 1.083068 -0.494779
H 3.852891 1.404424 1.504608
H 3.404987 -0.956870 0.868675
H 3.577970 2.145080 -1.474624
H -3.345857 -3.393465 -0.217522
H -1.284831 -3.435574 -1.352818
H -1.091886 -1.687362 -1.155356
H 0.308925 -3.784802 0.366480
H 5.343357 0.444766 -1.865147
H -3.182522 -2.580764 2.333780
H -0.603607 -2.973867 2.781871
H 0.938993 -0.244147 1.642215
H 2.360130 3.153898 1.742967
H 4.877001 3.620013 -0.059934
H -5.292258 -2.262673 -1.156669
H -1.311715 0.023551 0.905231
H 5.963253 -1.964560 -0.555799
H 6.995629 -1.354627 0.800071
H 7.248086 -0.728924 -0.872750
H -0.847636 3.565620 1.014552
H -0.077780 1.984288 1.316931


