%chk=000049071.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049071

0 1
 O    1.191400     -0.3383000     -0.6718000    
 O    1.741700       1.854000     -0.2846000    
 O    4.463900       2.127300     -0.5756000    
 N   -3.022500     -0.1170000     -0.8716000    
 C   -3.002400     -0.8468000      0.4099000    
 C   -5.091000      0.4483000       1.121300    
 C   -3.672500      7.4999998E-03   1.504200    
 C   -5.063800       1.134500     -0.2476000    
 C   -4.370800      0.2688000      -1.300900    
 C   -2.310600     -0.8133000      -1.939600    
 C   -3.602300      -2.261000      0.3687000    
 C   -5.680000       1.374000       2.183600    
 C  -0.8996000      -1.174800      -1.487100    
 C  -0.1038000      6.3199997E-02  -1.096400    
 C    2.043400      0.6651000     -0.2815000    
 C    3.341200      0.1288000      0.1312000    
 C    4.501800      0.8787000     -3.0700000E-02
 C    3.395100      -1.145300      0.6876000    
 C    5.729100      0.3489000      0.3681000    
 C    4.622400      -1.675000       1.086200    
 C    5.789300     -0.9279000      0.9264000    
 H   -1.973000     -0.9522000      0.7688000    
 H   -5.735400     -0.4373000       1.056900    
 H   -3.053300      0.8974000       1.685200    
 H   -3.697900     -0.5466000       2.451100    
 H   -4.540700       2.097200     -0.1719000    
 H   -6.086400       1.356400     -0.5753000    
 H   -4.986200     -0.6112000      -1.524300    
 H   -4.310600      0.8555000      -2.226200    
 H   -2.838800      -1.719500      -2.259900    
 H   -2.239900     -0.1620000      -2.820100    
 H   -3.037600      -2.924400     -0.2932000    
 H   -3.577100      -2.712700       1.366800    
 H   -4.644500      -2.264200      3.6200002E-02
 H   -5.720400      0.8717000       3.155800    
 H   -5.081300       2.284100       2.297300    
 H   -6.699700       1.671000       1.916400    
 H  -0.8693000      -1.931500     -0.6960000    
 H  -0.3835000      -1.658100      -2.328100    
 H  -0.5813000      0.6123000     -0.2784000    
 H  -8.8000000E-03  0.7318000      -1.960600    
 H    2.502400      -1.746400      0.8383000    
 H    6.646300      0.9195000      0.2496000    
 H    4.669400      -2.667800       1.524100    
 H    6.744700      -1.340100       1.237700    
 H    5.366500       2.488400     -0.6058000    


%chk=000049071-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049071

0 1
O 1.289524 -0.427387 -0.672567
O 1.760567 1.839810 -0.429697
O 4.414439 2.417371 0.057107
N -3.082096 -0.327157 -0.770491
C -3.233488 -0.994907 0.558645
C -5.203159 0.608380 1.062235
C -3.864311 0.008763 1.558707
C -4.977201 1.233152 -0.335456
C -4.350152 0.218581 -1.312083
C -2.306348 -1.087365 -1.779010
C -4.002110 -2.350048 0.525108
C -5.765721 1.637342 2.065163
C -0.840994 -1.349297 -1.362683
C -0.109329 -0.050653 -1.022121
C 2.150873 0.650565 -0.377728
C 3.510156 0.154372 -0.011346
C 4.606499 1.043310 0.211395
C 3.742118 -1.241957 0.138442
C 5.878550 0.529350 0.576082
C 5.002690 -1.751423 0.501141
C 6.076585 -0.856529 0.722070
H -2.209853 -1.211492 0.923604
H -5.944892 -0.212408 0.956343
H -3.147945 0.840001 1.715737
H -4.008697 -0.493674 2.535709
H -4.294283 2.100467 -0.235395
H -5.934586 1.605418 -0.751351
H -5.098145 -0.583922 -1.542817
H -4.118878 0.720039 -2.271507
H -2.779592 -2.066551 -2.044564
H -2.306752 -0.482153 -2.707589
H -3.509660 -3.078567 -0.144845
H -4.024788 -2.792450 1.538172
H -5.046752 -2.231547 0.186888
H -5.944176 1.178679 3.056060
H -5.055619 2.475339 2.204173
H -6.723375 2.062154 1.709401
H -0.789681 -2.039443 -0.499668
H -0.324448 -1.854245 -2.201097
H -0.569996 0.474021 -0.168081
H -0.088176 0.650846 -1.876651
H 2.900131 -1.915425 -0.038172
H 6.712251 1.224259 0.744141
H 5.149332 -2.830304 0.611355
H 7.064621 -1.235061 1.005891
H 5.260468 2.902745 0.235549


