%chk=000027241.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027241

0 1
 O    2.643800      -1.159600      0.8893000    
 O   -2.019700      -1.399700      -1.190100    
 O   -1.736300     -0.2893000       1.346200    
 O    3.974100      -3.030100      0.6282000    
 N   -6.176300       1.542800       1.067900    
 C    2.271700      -1.148200      -1.497400    
 C   0.7955000     -0.7661000      -1.362400    
 C    3.139100     -0.6273000     -0.3409000    
 C  -2.9200001E-02  -1.327100      -2.519600    
 C    3.160200      0.8787000     -0.2209000    
 C   -1.491500     -0.9170000      -2.417600    
 C    2.214000       1.528900      0.5716000    
 C    4.125600       1.619200     -0.9032000    
 C    2.233600       2.919300      0.6819000    
 C    4.145100       3.009600     -0.7928000    
 C   -3.037200     -0.6743000     -0.6266000    
 C    3.151000      -2.373300       1.251300    
 C    3.199100       3.659500     -3.9999999E-04
 C   -2.891700     -0.1188000      0.6448000    
 C   -4.225000     -0.4933000      -1.335000    
 C    2.545600      -2.803700       2.553100    
 C   -3.934200      0.6175000       1.207500    
 C   -5.267300      0.2431000     -0.7723000    
 C   -5.122000      0.7985000      0.4990000    
 C   -1.668100      0.3105000       2.638400    
 H    2.661100     -0.7639000      -2.448400    
 H    2.344600      -2.242100      -1.537200    
 H   0.4047000      -1.141100     -0.4102000    
 H   0.6813000      0.3228000      -1.361300    
 H    4.176000     -0.9550000     -0.4957000    
 H   4.0199999E-02  -2.421800      -2.504300    
 H   0.3779000     -0.9826000      -3.477000    
 H   -2.055900      -1.357900      -3.246900    
 H   -1.572900      0.1758000      -2.482400    
 H    1.444500      0.9805000       1.108200    
 H    4.866600       1.125200      -1.526000    
 H    1.495600       3.425800       1.297100    
 H    4.896300       3.586100      -1.324600    
 H    3.213800       4.742100      8.4899999E-02
 H   -4.355500     -0.9269000      -2.322700    
 H    2.802600      -2.086100       3.336200    
 H    2.943600      -3.783400       2.832300    
 H    1.460800      -2.886200       2.447300    
 H   -3.878900       1.072700       2.191100    
 H   -6.188700      0.3756000      -1.333700    
 H   -7.037200       1.674600      0.5539000    
 H   -6.072500       1.946900       1.989200    
 H  -0.6812000      7.4100003E-02   3.050100    
 H   -2.408500     -0.1178000       3.322600    
 H   -1.733700       1.402400       2.580500    


%chk=000027241-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000027241

0 1
O 2.574912 -0.326293 0.984892
O -1.736985 -0.829369 -0.780570
O -2.297342 -1.384055 1.773205
O 2.937879 -2.614420 1.283585
N -6.809127 0.564818 1.333795
C 2.420282 -0.926246 -1.413165
C 1.051459 -0.218743 -1.509049
C 3.343423 -0.355074 -0.300660
C 0.043011 -0.987054 -2.391947
C 3.831916 1.059949 -0.570941
C -1.396588 -0.507393 -2.177715
C 3.185815 2.198609 -0.030441
C 4.944678 1.242731 -1.430447
C 3.645344 3.497128 -0.347369
C 5.400487 2.540221 -1.752475
C -3.011425 -0.446961 -0.324416
C 2.376385 -1.551459 1.633922
C 4.750644 3.674085 -1.211165
C -3.316573 -0.747903 1.040143
C -3.995260 0.192923 -1.106782
C 1.377774 -1.387680 2.757577
C -4.575563 -0.410513 1.579261
C -5.257147 0.534920 -0.569950
C -5.563390 0.236416 0.780368
C -2.619027 -1.788776 3.142592
H 2.965741 -0.860416 -2.375483
H 2.267230 -2.001442 -1.200324
H 0.620470 -0.136896 -0.495785
H 1.178698 0.813647 -1.890494
H 4.199780 -1.043088 -0.163669
H 0.082215 -2.067453 -2.151282
H 0.296033 -0.883205 -3.466446
H -2.099999 -1.027335 -2.861617
H -1.483041 0.588659 -2.341299
H 2.338047 2.058350 0.646214
H 5.461199 0.367236 -1.844499
H 3.140397 4.370633 0.080832
H 6.264113 2.665983 -2.415326
H 5.105705 4.681735 -1.455041
H -3.790127 0.431763 -2.154358
H 1.554489 -0.447064 3.304295
H 1.441673 -2.248158 3.440329
H 0.360542 -1.338205 2.322807
H -4.805482 -0.641600 2.624396
H -6.000220 1.030955 -1.204834
H -7.518478 1.023753 0.771635
H -7.027655 0.344403 2.299843
H -1.718894 -2.304979 3.508762
H -3.480334 -2.484898 3.165522
H -2.833183 -0.912637 3.786573


