%chk=000100721.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100721

0 1
 O   -1.425100      -1.948100      -1.176100    
 O  -4.6599999E-02  -2.846000      0.9737000    
 O   -2.963600       1.809900      -1.624600    
 O   -2.776700      -2.308400       1.715900    
 O    1.659900       2.753600       1.031700    
 O    6.439700      -1.046400     -0.4880000    
 N   -1.646100      0.2890000     -0.4247000    
 N   -3.914300     -0.9961000      0.2001000    
 N    1.985200      0.9548000     -0.6930000    
 C   -1.493700      -1.145200      1.3000000E-03
 C  -0.5077000       1.245700     -0.3646000    
 C   -3.920500     -0.3211000      -1.083400    
 C  -0.2388000      -1.435600      0.8831000    
 C   0.7755000      0.5080000     -0.2481000    
 C   -2.832000      0.7293000      -1.050700    
 C   0.9463000     -0.7303000      0.3238000    
 C   -2.772800      -1.534100      0.7609000    
 C   -5.336100      0.2372000      -1.196400    
 C  -0.6923000       2.207400      0.8110000    
 C   -5.255800      -1.172400      0.7295000    
 C   -6.166500     -0.7864000     -0.4267000    
 C   0.3597000       3.328500      0.8841000    
 C    2.331800      -1.052200      0.2417000    
 C    2.957400      2.2299999E-02 -0.4037000    
 C   0.1353000       4.263700       2.073300    
 C   0.3467000       4.136000     -0.4178000    
 C    3.129600      -2.143200      0.6459000    
 C    4.332600      5.4000001E-02 -0.6634000    
 C    4.506400      -2.123600      0.3917000    
 C    5.096700      -1.040900     -0.2537000    
 C    6.985400      9.0800002E-02  -1.152700    
 H  -0.5238000       1.794100      -1.312400    
 H   -3.716600      -1.051500      -1.873900    
 H  -0.3963000      -1.057100       1.901900    
 H   -5.660000      0.3437000      -2.236000    
 H   -5.419600       1.219700     -0.7153000    
 H  -0.6640000       1.635000       1.749300    
 H   -1.691800       2.659700      0.7638000    
 H   -5.368900     -0.4885000       1.577600    
 H   -5.409200      -2.198000       1.077100    
 H   -7.129700     -0.3921000     -9.2000000E-02
 H   -6.355200      -1.660100      -1.062300    
 H    2.153200       1.834300      -1.161100    
 H   -1.274200      -2.868500     -0.9012000    
 H  -0.8200000      -3.222200       1.426700    
 H  -0.8403000       4.757200       2.017400    
 H   0.1877000       3.706900       3.015800    
 H   0.9125000       5.034600       2.125400    
 H  -0.6557000       4.510800     -0.6495000    
 H    1.016100       5.001300     -0.3365000    
 H   0.7197000       3.568400      -1.274600    
 H    2.690200      -2.997500       1.152700    
 H    4.732400      0.9251000      -1.167200    
 H    2.311500       3.475500       1.036200    
 H    5.114800      -2.968200      0.7061000    
 H    6.866500       1.002100     -0.5567000    
 H    6.580600      0.1996000      -2.164700    
 H    8.061500     -8.2300000E-02  -1.257700    


%chk=000100721-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100721

0 1
O -1.472651 -1.603088 -1.651292
O -0.115355 -3.164789 0.030875
O -2.865556 2.137912 -0.907431
O -2.652868 -2.876843 1.129344
O 1.481922 3.518904 -0.301204
O 6.626215 -1.369318 0.020534
N -1.574259 0.309512 -0.230916
N -3.917822 -1.192383 0.148205
N 2.167055 0.884546 -0.445253
C -1.489869 -1.168201 -0.241082
C -0.353321 1.196536 -0.339709
C -3.994989 -0.006755 -0.736114
C -0.227603 -1.757555 0.477600
C 0.888321 0.353598 -0.259564
C -2.774117 0.906981 -0.617536
C 0.986770 -0.984688 0.100752
C -2.745492 -1.815322 0.419458
C -5.344360 0.631823 -0.337414
C -0.368198 2.305954 0.772849
C -5.243865 -1.606217 0.672550
C -6.220016 -0.607879 -0.007099
C 0.137813 3.713227 0.352245
C 2.394785 -1.320581 0.141191
C 3.110224 -0.118532 -0.202637
C 0.343839 4.578052 1.615774
C -0.784649 4.421908 -0.660546
C 3.132621 -2.501842 0.421135
C 4.522989 -0.060869 -0.263230
C 4.533755 -2.459591 0.371720
C 5.220074 -1.252367 0.033736
C 7.393118 -0.180037 -0.340210
H -0.417523 1.696914 -1.326275
H -4.026548 -0.341305 -1.795225
H -0.411710 -1.752895 1.570062
H -5.758487 1.255560 -1.143632
H -5.206674 1.271706 0.552269
H 0.234115 1.950831 1.629584
H -1.403691 2.443455 1.125811
H -5.246426 -1.517308 1.775000
H -5.446807 -2.661818 0.422002
H -7.074077 -0.360969 0.644353
H -6.620755 -1.046592 -0.939033
H 2.302301 1.902054 -0.544206
H -0.917818 -2.440412 -1.647875
H -0.870285 -3.633218 0.495937
H -0.600004 4.679843 2.182032
H 1.100069 4.118293 2.275487
H 0.685553 5.595758 1.347626
H -1.796994 4.556497 -0.245582
H -0.375739 5.420854 -0.912607
H -0.894384 3.837229 -1.587214
H 2.608513 -3.431772 0.658941
H 5.039386 0.864761 -0.532553
H 1.770430 4.387252 -0.677479
H 5.138709 -3.347077 0.580534
H 7.220480 0.647441 0.377260
H 7.146933 0.165498 -1.364424
H 8.447925 -0.490476 -0.298523


