%chk=000049020.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049020

0 1
 O  -0.8880000      0.7312000     -9.7000003E-03
 O    4.748800      -1.936100      8.8100001E-02
 O  -0.4768000     -0.7760000      -1.688600    
 N  -0.7439000       3.588600      0.3466000    
 C   0.2738000       1.466200     -0.3921000    
 C   0.4230000       2.717400      0.4821000    
 C    1.474000      0.5540000     -0.2632000    
 C    2.195300      0.2222000      -1.396800    
 C    1.824400      7.0900001E-02  0.9857000    
 C  -0.8872000       4.039200      -1.037200    
 C  -0.6336000       4.734600       1.248600    
 C    3.301500     -0.6190000      -1.277900    
 C    2.930700     -0.7702000       1.104700    
 C    3.669500      -1.115100     -2.7200000E-02
 C   -1.162500     -0.3905000     -0.7473000    
 C   -2.373000      -1.055100     -0.2621000    
 C   -2.500300      -2.433200     -0.3924000    
 C   -3.383200     -0.3017000      0.3248000    
 C   -3.653600      -3.066800      7.0299998E-02
 C   -4.536600     -0.9353000      0.7874000    
 C   -4.671800      -2.317900      0.6601000    
 C    5.069400      -2.407400       1.396100    
 H   0.1743000       1.751500      -1.445700    
 H    1.351000       3.249200      0.2316000    
 H   0.4915000       2.421900       1.536300    
 H    1.924200      0.6049000      -2.376500    
 H    1.252300      0.3149000       1.875700    
 H   -1.656900       4.818000      -1.106200    
 H   -1.241900       3.239500      -1.694200    
 H   4.1800000E-02   4.457000      -1.442100    
 H   -1.530100       5.361700       1.187000    
 H   0.2394000       5.357400       1.021600    
 H  -0.5589000       4.401300       2.289800    
 H    3.873600     -0.8835000      -2.163100    
 H    3.158500      -1.122700       2.104900    
 H   -1.714100      -3.030100     -0.8470000    
 H   -3.310900      0.7778000      0.4254000    
 H   -3.758700      -4.143300     -2.8100001E-02
 H   -5.331000     -0.3521000       1.244200    
 H   -5.570100      -2.811000       1.019900    
 H    5.338900      -1.583700       2.065800    
 H    5.954300      -3.045400       1.301900    
 H    4.268000      -3.031000       1.806600    


%chk=000049020-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049020

0 1
O -0.633747 0.207077 -0.062604
O 5.527125 -1.519573 0.599949
O -1.756415 0.457504 -2.100300
N -0.845338 3.145015 -0.211165
C 0.503086 1.037124 -0.571113
C 0.398432 2.425257 0.109293
C 1.800387 0.329060 -0.234326
C 2.832758 0.231483 -1.202575
C 2.028346 -0.213755 1.051815
C -0.900992 3.647309 -1.598983
C -1.171258 4.185060 0.784165
C 4.061044 -0.381797 -0.895635
C 3.250434 -0.842391 1.376098
C 4.273247 -0.922328 0.397102
C -1.735788 0.056729 -0.908477
C -2.857682 -0.666251 -0.238077
C -4.027309 -0.930270 -0.996702
C -2.783155 -1.087305 1.114630
C -5.113387 -1.609144 -0.407270
C -3.871780 -1.767085 1.700635
C -5.037785 -2.029365 0.942417
C 5.789495 -2.114238 1.912446
H 0.383222 1.130619 -1.665243
H 1.318427 3.000730 -0.176230
H 0.442838 2.269632 1.203536
H 2.671186 0.632934 -2.210308
H 1.232204 -0.167881 1.803089
H -1.859952 4.171393 -1.756880
H -0.870085 2.804909 -2.310142
H -0.070617 4.359708 -1.838810
H -2.163596 4.613953 0.556540
H -0.433187 5.027009 0.813322
H -1.218308 3.736200 1.792458
H 4.861681 -0.463645 -1.636792
H 3.391864 -1.262665 2.376335
H -4.061128 -0.595105 -2.038581
H -1.876786 -0.876025 1.688257
H -6.015449 -1.811529 -0.994886
H -3.813968 -2.092170 2.745273
H -5.882045 -2.557365 1.400205
H 5.749636 -1.352838 2.715873
H 6.807028 -2.525783 1.842676
H 5.072416 -2.927894 2.136787


