%chk=000106008.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106008

0 1
 O   -1.279100       2.748600     -1.7600000E-02
 O    1.954400      -1.718500      8.1900001E-02
 O   -2.691900      -2.146200     -0.1068000    
 O    5.164300      -1.491600     -0.5464000    
 O    6.568900      -1.234900       1.216800    
 N   -2.453800      0.1880000     -8.2400002E-02
 N    3.110200      0.8361000      0.1485000    
 N    4.939000       1.063700      -1.057200    
 N    3.580200      0.8957000      -1.007900    
 C   -1.048900      0.3602000     -2.5500000E-02
 C  -0.4897000       1.637700      7.1000000E-03
 C    1.162300     -0.6098000      5.8100000E-02
 C  -0.2229000     -0.7636000      9.9999997E-05
 C    1.721500      0.6677000      9.0800002E-02
 C   0.8956000       1.791300      6.5300003E-02
 C   -3.186000      -1.007000     -0.1191000    
 C   -1.182100       3.636300       1.094100    
 C   -4.630600     -0.8642000     -0.2033000    
 C    1.769300      -2.623300       1.168500    
 C   -5.249500      0.2781000      0.3048000    
 C   -5.397800      -1.869600     -0.7919000    
 C   -2.512200       4.333300       1.286000    
 C    3.081400      -3.320600       1.458300    
 C    5.807300      0.7338000      5.9799999E-02
 C   -6.635400      0.4146000      0.2243000    
 C   -6.783500      -1.732900     -0.8726000    
 C   -7.402300     -0.5909000     -0.3644000    
 C    5.514800       1.136600      -2.384600    
 C    5.896600     -0.7487000      0.3156000    
 H  -0.5907000      -1.778100     -3.7400000E-02
 H    1.336900       2.785000      8.2800001E-02
 H   -2.958200       1.068000     -0.1436000    
 H  -0.9254000       3.091700       2.011200    
 H  -0.4005000       4.376600      0.8917000    
 H    1.433600      -2.095300       2.069700    
 H    1.011500      -3.363300      0.8893000    
 H   -4.701100       1.069200      0.8071000    
 H   -4.936100      -2.765600      -1.198800    
 H   -2.470500       5.031700       2.126300    
 H   -3.306200       3.602500       1.472400    
 H   -2.793100       4.884100      0.3822000    
 H    3.455600      -3.830400      0.5648000    
 H    2.963000      -4.055300       2.259800    
 H    3.843000      -2.595300       1.760800    
 H    6.810800       1.116800     -0.1520000    
 H    5.430800       1.228300      0.9607000    
 H   -7.118900       1.299600      0.6278000    
 H   -7.380900      -2.515300      -1.331600    
 H   -8.481600     -0.4853000     -0.4254000    
 H    5.809400      0.1352000      -2.709000    
 H    4.782100       1.548600      -3.085200    
 H    6.388200       1.794300      -2.364100    
 H    5.254400      -2.452400     -0.3711000    


%chk=000106008-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106008

0 1
O -1.401994 2.343603 -0.153527
O 2.096614 -1.998311 0.637288
O -2.834257 -2.332244 0.505124
O 5.528610 -0.248064 -1.870579
O 5.878561 -1.950237 -0.323788
N -2.451534 -0.038423 0.202997
N 3.205209 0.423023 0.270085
N 5.076510 1.620995 0.105834
N 3.705105 1.607038 -0.006579
C -1.039157 0.014463 0.226251
C -0.457188 1.306660 0.033812
C 1.206438 -0.940826 0.443738
C -0.199665 -1.102814 0.428327
C 1.790047 0.352307 0.248295
C 0.931216 1.470803 0.043270
C -3.277799 -1.146170 0.363302
C -0.885611 3.706713 -0.372877
C -4.758747 -0.859511 0.342017
C 1.535258 -3.355378 0.810317
C -5.321849 0.427610 0.556013
C -5.624217 -1.962787 0.124670
C -2.091839 4.623908 -0.552780
C 2.726034 -4.290375 1.001815
C 5.803945 0.396497 0.456360
C -6.722401 0.605552 0.533845
C -7.022021 -1.783544 0.098903
C -7.576523 -0.497132 0.299810
C 5.751799 2.752208 -0.536307
C 5.718125 -0.739412 -0.571330
H -0.674180 -2.074593 0.564706
H 1.400989 2.446675 -0.102271
H -2.883129 0.871501 0.015615
H -0.274345 4.007709 0.502184
H -0.237503 3.707530 -1.272806
H 0.861148 -3.368551 1.691043
H 0.943454 -3.625751 -0.088069
H -4.687622 1.295009 0.777449
H -5.170807 -2.949699 -0.013263
H -1.753250 5.662116 -0.721869
H -2.732589 4.610501 0.345893
H -2.697305 4.310621 -1.420720
H 3.414134 -4.224471 0.141989
H 2.375633 -5.334052 1.100992
H 3.292421 -4.019796 1.909045
H 6.867482 0.663768 0.593027
H 5.412772 -0.021959 1.398550
H -7.146957 1.600277 0.708671
H -7.679044 -2.642731 -0.074888
H -8.662964 -0.356205 0.283173
H 6.107134 2.486414 -1.551368
H 5.026408 3.576413 -0.616902
H 6.610456 3.083593 0.074132
H 5.455194 -1.015270 -2.499918


