%chk=000059023.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059023

0 1
 O   -2.419300       1.061300     -0.2706000    
 N    4.992400      -3.363400     -0.5485000    
 N    2.615000       3.227200     -0.1162000    
 C    3.235000      -1.163100      0.2829000    
 C    4.674400     -0.9303000     -0.1935000    
 C    3.092200      -2.584700      0.8411000    
 C    2.825900     -0.1225000       1.321500    
 C    5.124800      -2.034500      -1.149700    
 C    3.605800      -3.623800     -0.1555000    
 C    2.460600       1.189300      0.6996000    
 C    1.171600       1.570500      0.2703000    
 C    3.331300       2.210800      0.4567000    
 C    1.293000       2.863800     -0.2423000    
 C  -9.5100001E-02  0.9535000      0.2611000    
 C   0.2067000       3.573800     -0.7657000    
 C   -1.190800       1.651500     -0.2593000    
 C   -1.040000       2.941500     -0.7643000    
 C   -2.508000     -0.2592000      0.2601000    
 C   -3.921800     -0.7449000      0.1312000    
 C   -4.826300     -0.5122000       1.161300    
 C   -4.315000      -1.422900      -1.017300    
 C   -6.140700     -0.9635000       1.041600    
 C   -5.629500      -1.874000      -1.137100    
 C   -6.542300      -1.644200     -0.1076000    
 H    2.570300      -1.087500     -0.5897000    
 H    5.356300     -0.8966000      0.6663000    
 H    4.761500      3.1800002E-02 -0.7093000    
 H    2.041000      -2.793700       1.073000    
 H    3.651100      -2.674500       1.781900    
 H    3.624800      2.3900000E-02   2.060200    
 H    1.961100     -0.4855000       1.892200    
 H    4.550300      -1.985000      -2.082800    
 H    6.175600      -1.871600      -1.413600    
 H    3.551400      -4.616600      0.3043000    
 H    2.961600      -3.647700      -1.043100    
 H    5.288900      -4.068500      -1.222600    
 H    4.392000       2.319400      0.6356000    
 H    3.000000       4.115800     -0.4050000    
 H  -0.1510000     -4.8700001E-02  0.6669000    
 H   0.3231000       4.578100      -1.159200    
 H   -1.901300       3.470900      -1.165200    
 H   -2.228600     -0.2724000       1.322100    
 H   -1.857000     -0.9493000     -0.2933000    
 H   -4.525300      1.9300001E-02   2.059900    
 H   -3.613500      -1.605300      -1.826700    
 H   -6.851600     -0.7841000       1.842800    
 H   -5.942700      -2.403400      -2.032200    
 H   -7.565800      -1.995200     -0.2010000    


%chk=000059023-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059023

0 1
O -2.318341 0.972786 -0.289248
N 4.738818 -3.369765 -0.756953
N 2.689761 3.437725 0.039619
C 3.223046 -1.180622 0.455110
C 4.362934 -0.933605 -0.563291
C 3.456502 -2.529367 1.181077
C 3.086652 -0.011537 1.476800
C 4.511519 -2.127617 -1.530080
C 3.628727 -3.682891 0.169487
C 2.657172 1.300732 0.867672
C 1.327521 1.635911 0.382732
C 3.452953 2.426291 0.641783
C 1.377005 2.977543 -0.129950
C 0.099291 0.916355 0.350063
C 0.237733 3.612933 -0.674681
C -1.033999 1.556538 -0.191927
C -0.965907 2.890549 -0.702123
C -2.459430 -0.409746 0.220571
C -3.895476 -0.835922 0.022205
C -4.855850 -0.623930 1.042343
C -4.304368 -1.442138 -1.191776
C -6.202114 -1.008782 0.853754
C -5.649477 -1.828052 -1.385216
C -6.601477 -1.612987 -0.361256
H 2.270224 -1.255844 -0.114092
H 5.317267 -0.801689 -0.014344
H 4.168267 -0.006843 -1.135541
H 2.608000 -2.752723 1.858950
H 4.373090 -2.459146 1.799999
H 4.059175 0.112641 1.994005
H 2.355947 -0.315562 2.255642
H 3.589783 -2.183049 -2.166656
H 5.372908 -1.967653 -2.205091
H 3.863338 -4.624906 0.699532
H 2.653524 -3.830394 -0.365493
H 4.987560 -4.167000 -1.356256
H 4.506944 2.577737 0.869338
H 3.030300 4.360255 -0.219379
H 0.053275 -0.102464 0.745175
H 0.277403 4.635742 -1.065341
H -1.881305 3.328611 -1.111035
H -2.181670 -0.430121 1.294930
H -1.764185 -1.071864 -0.336462
H -4.547742 -0.149707 1.982018
H -3.567750 -1.603672 -1.988086
H -6.936117 -0.839693 1.649522
H -5.954504 -2.295212 -2.328251
H -7.644827 -1.914250 -0.508500


