%chk=000104132.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104132

0 1
 O   0.6057000       2.446800     -0.6879000    
 O   -1.255400      -1.404100      -2.700300    
 O   -3.807000       1.714000       1.771400    
 O   -3.539200      -2.233400      -1.819600    
 O    5.642000      0.5116000      0.4395000    
 O    7.134000      -2.676900       1.069900    
 O    7.878800     -0.8633000     -0.1487000    
 N   -1.526900       2.716900       1.035500    
 C   -2.553100      0.7101000      2.7100001E-02
 C   -2.486400     -0.3233000     -0.9098000    
 C   -4.799100     -0.1717000      0.8397000    
 C   -4.732400      -1.205100     -9.7300000E-02
 C   -3.712000      0.8238000      0.9359000    
 C   -1.516100       1.647100      0.1082000    
 C   -3.573400      -1.318700      -1.006100    
 C   -1.382400     -0.4198000      -1.765500    
 C  -0.4178000       1.547200     -0.7465000    
 C  -0.3510000      0.5159000      -1.681300    
 C   -5.903100     -7.5099997E-02   1.695400    
 C   -5.769600      -2.142000     -0.1786000    
 C   -6.934600      -1.010700       1.610800    
 C   -6.867900      -2.042000      0.6758000    
 C    1.869900       1.961600     -0.4043000    
 C    2.026600       1.043000      0.6187000    
 C    2.946700       2.405900      -1.151300    
 C    4.398300      0.9896000      0.1617000    
 C    3.301000      0.5530000      0.9039000    
 C    4.221100       1.916000     -0.8659000    
 C    5.726400     -0.8120000      0.9657000    
 C    7.039600      -1.418800      0.5473000    
 C    8.337400      -3.385300      0.7566000    
 H   0.5004000      0.4467000      -2.354700    
 H   -5.981300      0.7185000       2.433600    
 H   -5.743000      -2.955900     -0.8982000    
 H   -7.790900     -0.9351000       2.274800    
 H   -7.672400      -2.769100      0.6122000    
 H   -2.292800       2.838500       1.682000    
 H  -0.7501000       3.364900       1.057200    
 H  -0.4195000      -1.290100      -3.183900    
 H    1.192700      0.7059000       1.227000    
 H    2.810200       3.126400      -1.952000    
 H    3.401100     -0.1436000       1.731100    
 H    5.072100       2.259300      -1.447900    
 H    5.689600     -0.7667000       2.058900    
 H    4.939100      -1.459800      0.5610000    
 H    8.286300      -4.369000       1.231100    
 H    9.205900      -2.849600       1.151600    
 H    8.425900      -3.521600     -0.3254000    


%chk=000104132-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104132

0 1
O 0.568819 1.663901 0.505145
O -1.510993 -2.133106 -1.808094
O -4.354211 2.136322 1.576901
O -4.127125 -2.424243 -1.552363
O 5.951677 0.203222 -0.271196
O 8.545214 -2.148799 0.649406
O 8.624475 -0.308849 -0.790500
N -1.793103 2.462685 1.428450
C -2.973804 0.594606 0.316070
C -2.900348 -0.595652 -0.512406
C -5.496498 0.321959 0.499737
C -5.433290 -0.847799 -0.304561
C -4.263980 1.077156 0.837234
C -1.787471 1.333792 0.650674
C -4.131716 -1.364229 -0.844239
C -1.627376 -1.003246 -0.995073
C -0.528116 0.858629 0.140627
C -0.448561 -0.273257 -0.662507
C -6.747948 0.776877 0.990645
C -6.625393 -1.551927 -0.609154
C -7.926445 0.072561 0.682912
C -7.864645 -1.096901 -0.120195
C 1.903190 1.202357 0.287257
C 2.400206 0.077026 0.973076
C 2.735807 1.973766 -0.552087
C 4.594447 0.471972 -0.032349
C 3.753215 -0.297236 0.812199
C 4.085025 1.608426 -0.709573
C 6.532155 -0.944977 0.406716
C 7.997110 -1.045731 -0.011156
C 9.978047 -2.419825 0.369216
H 0.525795 -0.598888 -1.045784
H -6.761204 1.680463 1.607527
H -6.543783 -2.449180 -1.230514
H -8.891579 0.425384 1.062425
H -8.782719 -1.644803 -0.359183
H -2.717189 2.770548 1.773783
H -0.912422 2.935890 1.621195
H -0.563370 -2.266471 -2.071213
H 1.743426 -0.495444 1.635862
H 2.324893 2.848851 -1.063506
H 4.129682 -1.169563 1.354135
H 4.760468 2.183653 -1.348874
H 6.481252 -0.835652 1.509062
H 6.016286 -1.886351 0.128096
H 10.212317 -3.319241 0.954588
H 10.595398 -1.563967 0.689135
H 10.127781 -2.594712 -0.709148


