%chk=000125866.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125866

0 1
 O    4.290200      -1.824200     -0.3767000    
 O   -7.234900     -0.5877000     -6.6000000E-02
 O    6.302800     -0.8796000     -0.1103000    
 N    4.451200      0.5286000     -0.1551000    
 C   -2.229700     -0.1563000      0.2142000    
 C   -1.355300       1.009700     -0.2961000    
 C   9.3800001E-02  0.9276000      0.1950000    
 C   0.7155000     -0.4104000     -0.3102000    
 C   -3.586100      0.2646000     -0.4021000    
 C    2.219200     -0.5492000      0.1132000    
 C   -1.644700      -1.461000     -0.3451000    
 C  -0.1662000      -1.635700      4.8300002E-02
 C   -2.181300       2.249400      3.2600001E-02
 C   -3.639000       1.791600     -0.1609000    
 C   0.9209000       2.124400     -0.2877000    
 C    3.006300      0.6806000     -0.4086000    
 C    2.395100       2.001900      9.1499999E-02
 C   -2.323800     -0.2480000       1.758100    
 C   -4.822300     -0.4592000      0.1118000    
 C    2.864100      -1.757100     -0.5795000    
 C    2.366500     -0.7122000       1.647100    
 C   -6.085600      8.2300000E-02 -0.5672000    
 C   -4.686000      -1.970600     -9.8399997E-02
 C    5.085900     -0.7214000     -0.2154000    
 C    5.243300       1.711900      0.1678000    
 H   -1.316000      0.9570000      -1.397400    
 H   0.1005000      0.9504000       1.289300    
 H   0.7067000     -0.3592000      -1.411000    
 H   -3.531400      0.1130000      -1.491500    
 H   -1.719100      -1.470500      -1.440100    
 H   -2.164800      -2.350000      1.2100000E-02
 H  -0.1061000      -1.849000       1.120000    
 H   0.2120000      -2.527400     -0.4645000    
 H   -1.938500       3.089800     -0.6257000    
 H   -2.017900       2.578900       1.064700    
 H   -4.224000       2.052900      0.7283000    
 H   -4.093800       2.301900      -1.017400    
 H   0.5236000       3.053200      0.1381000    
 H   0.8391000       2.218100      -1.378300    
 H    2.932100      0.6968000      -1.506500    
 H    2.921200       2.858200     -0.3461000    
 H    2.504500       2.093100       1.178500    
 H   -1.344000     -0.3412000       2.234000    
 H   -2.803200      0.6314000       2.199800    
 H   -2.899900      -1.122400       2.075500    
 H   -4.951700     -0.2950000       1.189200    
 H    2.456800      -2.697400     -0.1940000    
 H    2.690500      -1.748300      -1.661900    
 H    3.414100     -0.7357000       1.964100    
 H    1.889800      9.9799998E-02   2.202200    
 H    1.920200      -1.650900       1.991100    
 H   -6.219800       1.150600     -0.3742000    
 H   -6.043800     -7.3899999E-02  -1.650800    
 H   -4.067700      -2.432700      0.6730000    
 H   -4.293400      -2.213500      -1.091000    
 H   -5.656600      -2.471800     -1.2800000E-02
 H    5.151600       2.435200     -0.6470000    
 H    6.301400       1.465300      0.2900000    
 H    4.885700       2.142800       1.106600    
 H   -8.005800     -0.2181000     -0.5293000    


%chk=000125866-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125866

0 1
O 4.358705 -1.838004 -0.213096
O -7.341296 -0.489562 -0.118766
O 6.389610 -0.805367 -0.031679
N 4.486496 0.560276 -0.145158
C -2.242735 -0.211058 0.227855
C -1.338828 0.992010 -0.211411
C 0.113451 0.910000 0.298979
C 0.754682 -0.410804 -0.237037
C -3.610847 0.231293 -0.416589
C 2.256413 -0.544752 0.199190
C -1.594700 -1.497130 -0.350114
C -0.116821 -1.651822 0.101140
C -2.182019 2.242312 0.126649
C -3.651583 1.785382 -0.154831
C 0.947742 2.138925 -0.137412
C 3.016297 0.707139 -0.352391
C 2.445438 2.018395 0.229989
C -2.389217 -0.316376 1.770371
C -4.913476 -0.487086 0.038878
C 2.906926 -1.748675 -0.509293
C 2.425916 -0.705589 1.732696
C -6.126860 0.117828 -0.696878
C -4.903068 -2.019370 -0.175025
C 5.145851 -0.669881 -0.137145
C 5.335369 1.765647 -0.222187
H -1.283131 0.933552 -1.324657
H 0.100156 0.882271 1.408319
H 0.755188 -0.318414 -1.350643
H -3.506654 0.066693 -1.513766
H -1.634290 -1.449060 -1.459307
H -2.154520 -2.401444 -0.051119
H -0.086201 -1.848958 1.189606
H 0.301816 -2.551850 -0.389420
H -1.895954 3.120582 -0.479143
H -2.051828 2.526049 1.188880
H -4.305233 2.009821 0.710077
H -4.076219 2.323269 -1.021752
H 0.530395 3.056764 0.317826
H 0.854397 2.261414 -1.238204
H 2.822949 0.741094 -1.452836
H 2.986489 2.890429 -0.179675
H 2.581409 2.039577 1.327774
H -1.417307 -0.443122 2.277230
H -2.871540 0.580255 2.199029
H -3.013318 -1.187856 2.039546
H -5.072461 -0.283084 1.118081
H 2.511156 -2.714349 -0.158087
H 2.775502 -1.679847 -1.608639
H 3.491470 -0.721956 2.016693
H 1.941639 0.109829 2.295385
H 1.981632 -1.657907 2.072091
H -6.155105 1.217891 -0.563616
H -6.055947 -0.109185 -1.784871
H -4.211756 -2.527639 0.518415
H -4.594928 -2.272776 -1.208189
H -5.915468 -2.422763 -0.004862
H 5.164356 2.311426 -1.171107
H 6.384758 1.438210 -0.179861
H 5.139854 2.448294 0.622876
H -8.140556 -0.109541 -0.561513


