%chk=000058380.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058380

0 1
 O    1.067800      -3.480300      0.7076000    
 N   0.6623000      -1.708600     -0.7640000    
 C  -0.9134000     -8.0100000E-02  0.1082000    
 C   -2.558800       1.567100       1.110000    
 C   -2.571700       1.136700      -1.373100    
 C   -3.382900     -0.6412000      0.2182000    
 C   -1.132900      0.9956000       1.198300    
 C   -1.145800      0.5664000      -1.278000    
 C   -1.954700      -1.206700      0.3086000    
 C   -2.766500       2.197600     -0.2771000    
 C   -3.573500      0.4285000       1.306200    
 C   -3.586400      3.0000001E-04  -1.164400    
 C   0.5061000     -0.6464000      0.1990000    
 C    1.544200      0.4628000     -9.4999997E-03
 C    2.982900     -5.2099999E-02  0.1209000    
 C   0.9267000      -3.015900     -0.4164000    
 C    3.993300       1.087800     -3.3799998E-02
 C    5.448800      0.6253000      6.0600001E-02
 C    6.454400       1.763200     -2.1400001E-02
 H   -2.702000       2.326700       1.886700    
 H   -2.724100       1.591400      -2.358400    
 H   -4.110000      -1.448100      0.3622000    
 H  -0.4468000       1.841000       1.091900    
 H  -0.9654000      0.5693000       2.195600    
 H   -1.007800     -0.1568000      -2.090000    
 H  -0.4565000       1.395700      -1.466100    
 H   -1.810600      -1.688600       1.284300    
 H   -1.849200      -1.991000     -0.4507000    
 H   -2.059500       3.023300     -0.4239000    
 H   -3.774000       2.625900     -0.3461000    
 H   -4.595000      0.8262000       1.265400    
 H   -3.446000     -2.0000000E-02   2.299100    
 H   -4.608100      0.3906000      -1.249200    
 H   -3.468700     -0.7562000      -1.949800    
 H   0.6560000      -1.066800       1.202200    
 H    1.428500       1.264400      0.7240000    
 H    1.462900      0.9067000      -1.006600    
 H   0.6126000      -1.482900      -1.752900    
 H    3.117800     -0.5291000       1.099100    
 H    3.184700     -0.8122000     -0.6427000    
 H    1.010200      -3.645800      -1.317300    
 H    3.806800       1.841500      0.7414000    
 H    3.839300       1.583500      -1.000300    
 H    5.654800     -9.0800002E-02 -0.7437000    
 H    5.599000      9.1799997E-02   1.006900    
 H    6.358700       2.300200     -0.9703000    
 H    7.475100       1.374900      4.9899999E-02
 H    6.303200       2.477300      0.7943000    


%chk=000058380-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058380

0 1
O 0.880374 -3.390554 0.697301
N 0.740666 -1.665461 -0.889543
C -0.947357 -0.004265 0.008992
C -2.646474 1.518770 1.175689
C -2.774386 1.177709 -1.335251
C -3.403265 -0.704980 0.241356
C -1.174664 1.022559 1.162044
C -1.299497 0.684965 -1.343441
C -1.932322 -1.195018 0.232637
C -2.969084 2.199643 -0.182277
C -3.603321 0.316076 1.391492
C -3.727428 -0.029430 -1.117981
C 0.530823 -0.538449 0.052267
C 1.630632 0.529175 -0.193933
C 3.044639 0.037086 0.189659
C 0.909062 -2.977345 -0.496642
C 4.149036 1.077715 -0.100357
C 5.560083 0.589810 0.301183
C 6.664236 1.629506 0.012495
H -2.773887 2.250931 1.997833
H -3.001649 1.663642 -2.305223
H -4.074183 -1.573548 0.393404
H -0.504996 1.896915 1.042020
H -0.924590 0.549072 2.133966
H -1.154583 -0.025925 -2.184588
H -0.625086 1.546908 -1.520551
H -1.688949 -1.701482 1.187899
H -1.798095 -1.947018 -0.568843
H -2.307253 3.076391 -0.335030
H -4.012440 2.573969 -0.180625
H -4.655042 0.665982 1.416428
H -3.394770 -0.166794 2.367289
H -4.781634 0.313480 -1.133282
H -3.610246 -0.761566 -1.942794
H 0.684009 -0.978631 1.058286
H 1.397424 1.437270 0.393090
H 1.623822 0.838264 -1.260750
H 0.790266 -1.449692 -1.888446
H 3.056975 -0.222017 1.268396
H 3.271728 -0.901910 -0.354213
H 1.079655 -3.656858 -1.365068
H 3.921494 2.020833 0.440028
H 4.144447 1.331392 -1.181689
H 5.786271 -0.352256 -0.238791
H 5.562343 0.335157 1.380571
H 6.702825 1.878650 -1.064987
H 7.661307 1.254352 0.308104
H 6.478883 2.569079 0.566777


