%chk=000041734.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041734

0 1
 O    3.067000      0.7156000       1.550000    
 N   0.8130000       1.844000     -0.4533000    
 C    1.895900       1.117600      -1.123500    
 C    3.162800       1.981700      -1.254000    
 C    2.155900     -0.2325000     -0.4855000    
 C    3.771100       2.500700      5.1300000E-02
 C    4.200700       1.386100      0.9942000    
 C    2.713200     -0.3714000      0.7947000    
 C  -0.4227000       1.080700     -0.5039000    
 C    1.786200      -1.400400      -1.173300    
 C   -1.546900       1.808900      0.2338000    
 C    1.961100      -2.660400     -0.5961000    
 C    2.866000      -1.629300       1.385000    
 C    2.497000      -2.774100      0.6839000    
 C   -2.829700       1.016500      0.2081000    
 C    1.562700      -3.885500      -1.348400    
 C   -3.727700       1.207600     -0.8311000    
 C   -3.089800      0.1096000       1.224400    
 C   -4.914300      0.4745000     -0.8545000    
 C   -4.276400     -0.6235000       1.200900    
 C   -5.188500     -0.4409000      0.1614000    
 C   -6.456600      -1.225400      0.1358000    
 H    1.577400      0.9429000      -2.161800    
 H    2.931500       2.851900      -1.883100    
 H    3.930300       1.412900      -1.796400    
 H    4.645900       3.114100     -0.1945000    
 H    3.049600       3.154000      0.5558000    
 H   0.6774000       2.750600     -0.8997000    
 H    4.898700      0.6888000      0.5108000    
 H    4.740500       1.830200       1.838300    
 H  -0.3128000      0.1003000     -2.7600000E-02
 H  -0.7214000      0.9083000      -1.546000    
 H    1.347400      -1.325900      -2.166400    
 H   -1.256900       2.000200       1.275700    
 H   -1.718800       2.797200     -0.2131000    
 H    3.277800      -1.721200       2.386400    
 H    2.627200      -3.748000       1.147900    
 H    2.153400      -4.753300      -1.035800    
 H   0.5038000      -4.103500      -1.177300    
 H    1.727000      -3.757200      -2.423700    
 H   -3.521900       1.916400      -1.628000    
 H   -2.384500     -4.1400000E-02   2.036600    
 H   -5.616000      0.6238000      -1.670900    
 H   -4.477500      -1.335700       1.996800    
 H   -6.308400      -2.161300     -0.4120000    
 H   -7.261300     -0.6600000     -0.3465000    
 H   -6.795400      -1.462100       1.150200    


%chk=000041734-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041734

0 1
O 3.283887 0.651347 1.619966
N 0.856893 1.691765 -0.541509
C 2.011302 1.019800 -1.195301
C 3.192688 2.022599 -1.275053
C 2.328594 -0.310942 -0.499135
C 3.621129 2.626416 0.077880
C 4.249379 1.607292 1.037360
C 2.872532 -0.432885 0.812541
C -0.437782 0.986041 -0.599391
C 1.973705 -1.510035 -1.169823
C -1.518423 1.779313 0.178185
C 2.102213 -2.795929 -0.591263
C 2.995453 -1.705985 1.417370
C 2.612427 -2.874041 0.728929
C -2.859441 1.061830 0.191751
C 1.668911 -4.042637 -1.344405
C -3.890447 1.402871 -0.719064
C -3.103604 0.002454 1.103394
C -5.121768 0.709433 -0.720434
C -4.333494 -0.690359 1.102348
C -5.364511 -0.352637 0.187363
C -6.677614 -1.117749 0.167130
H 1.763400 0.750729 -2.255238
H 2.891615 2.846402 -1.955627
H 4.054412 1.516433 -1.752767
H 4.369030 3.426301 -0.100280
H 2.751640 3.087124 0.581089
H 0.770378 2.666373 -0.865021
H 5.059534 1.039851 0.531594
H 4.668591 2.120100 1.920101
H -0.313774 -0.008906 -0.134548
H -0.794604 0.807460 -1.645929
H 1.555887 -1.426057 -2.182593
H -1.140389 1.934134 1.206015
H -1.631570 2.782369 -0.281592
H 3.410819 -1.752146 2.429292
H 2.722292 -3.851456 1.214389
H 2.241829 -4.929689 -1.020607
H 0.597198 -4.263720 -1.172029
H 1.807544 -3.927629 -2.434186
H -3.731054 2.226151 -1.427315
H -2.325212 -0.273673 1.826106
H -5.906350 0.998679 -1.431059
H -4.499974 -1.500361 1.823674
H -6.620973 -1.989569 -0.513818
H -7.511140 -0.482845 -0.182274
H -6.938156 -1.501918 1.169381


