%chk=000048916.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048916

0 1
 O    1.077300      -1.624100      0.9725000    
 O    1.448700      -2.523100      -1.114000    
 O    2.000100      0.7962000      -2.335400    
 N   -3.562300     -0.8390000     -0.1838000    
 C   -4.896700      -1.413900     -0.4409000    
 C   -5.774200     -0.3788000      -1.170600    
 C   -3.603700      0.4080000      0.5880000    
 C   -5.854800      0.9493000     -0.4239000    
 C   -4.456500       1.466900     -0.1111000    
 C   -2.631200      -1.793800      0.4109000    
 C   -5.618300      -1.972900      0.7952000    
 C   -1.217100      -1.222200      0.4147000    
 C  -0.2185000      -2.205600       1.010100    
 C    1.808200      -1.862400     -0.1519000    
 C    3.136400      -1.204400     -6.6399999E-02
 C    3.306800      8.4799998E-02 -0.5306000    
 C    4.176400      -1.926100      0.4878000    
 C    2.215100      0.8515000      -1.116900    
 C    4.566500      0.6767000     -0.4373000    
 C    5.435900      -1.334200      0.5813000    
 C    5.631000     -3.2900002E-02  0.1187000    
 C    1.321000       1.721800     -0.2975000    
 C    1.540300       1.800200       1.058700    
 C   0.3129000       2.412200     -0.9304000    
 C   0.7050000       2.613600       1.824400    
 C  -0.5223000       3.225800     -0.1645000    
 C  -0.3261000       3.326400       1.212900    
 H   -4.769200      -2.252100      -1.139300    
 H   -5.355000     -0.1969000      -2.169400    
 H   -6.784300     -0.7756000      -1.326900    
 H   -3.978200      0.2366000       1.604500    
 H   -2.621000      0.8732000      0.6854000    
 H   -6.397400       1.684600      -1.028500    
 H   -6.420200      0.8239000      0.5067000    
 H   -3.966100       1.772600      -1.044500    
 H   -4.526400       2.361700      0.5180000    
 H   -2.628600      -2.721600     -0.1746000    
 H   -2.921100      -2.052900       1.436500    
 H   -5.758300      -1.220100       1.576400    
 H   -5.070400      -2.814600       1.230500    
 H   -6.610000      -2.348400      0.5189000    
 H   -1.126500     -0.3129000       1.015500    
 H  -0.9127000     -0.9500000     -0.6039000    
 H  -0.4595000      -2.397900       2.061400    
 H  -0.2431000      -3.173800      0.4959000    
 H    4.031600      -2.939800      0.8500000    
 H    4.731900       1.690100     -0.7944000    
 H    6.264800      -1.886600       1.014200    
 H    6.611800      0.4279000      0.1915000    
 H    2.330200       1.261400       1.570200    
 H   0.1398000       2.348500      -2.000000    
 H   0.8566000       2.691500       2.897100    
 H   -1.327000       3.779000     -0.6400000    
 H  -0.9776000       3.958600       1.809200    


%chk=000048916-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048916

0 1
O 0.673337 -0.004553 0.412206
O 1.352865 -2.162336 0.988945
O 2.178629 2.773366 -0.882998
N -4.078221 -1.111164 -0.589110
C -5.235802 -1.950582 -0.151356
C -6.045268 -2.384697 -1.401029
C -4.469069 0.084516 -1.376257
C -6.486742 -1.178513 -2.262225
C -5.258512 -0.320392 -2.638027
C -3.095032 -0.822165 0.478448
C -6.140613 -1.294252 0.935228
C -1.659654 -0.673815 -0.081661
C -0.673168 -0.241205 1.010360
C 1.600728 -1.038635 0.484136
C 2.899168 -0.654960 -0.154645
C 3.286759 0.691173 -0.425691
C 3.735175 -1.726299 -0.564012
C 2.518230 1.929443 -0.000787
C 4.484554 0.922613 -1.148527
C 4.938934 -1.479016 -1.252366
C 5.308322 -0.147983 -1.556886
C 2.292641 2.203140 1.458642
C 2.951939 1.469290 2.479706
C 1.422909 3.268113 1.817562
C 2.738505 1.791518 3.837661
C 1.205089 3.584011 3.172775
C 1.862594 2.845236 4.187787
H -4.796479 -2.865646 0.296238
H -5.401686 -3.044315 -2.014737
H -6.923455 -2.977698 -1.079883
H -5.079788 0.803603 -0.770278
H -3.551221 0.623483 -1.673835
H -7.002716 -1.534756 -3.174107
H -7.218793 -0.557916 -1.707046
H -4.590307 -0.903906 -3.300568
H -5.568387 0.589426 -3.187786
H -3.111954 -1.664997 1.197141
H -3.361553 0.098318 1.060584
H -6.655474 -0.390687 0.563137
H -5.548764 -1.005457 1.823430
H -6.915014 -2.010584 1.267104
H -1.640920 0.078102 -0.891671
H -1.344152 -1.637591 -0.518614
H -0.945318 0.735017 1.447449
H -0.577476 -1.003406 1.804730
H 3.408907 -2.747087 -0.339816
H 4.763153 1.955042 -1.382849
H 5.574882 -2.314530 -1.563167
H 6.232659 0.055843 -2.108085
H 3.640008 0.659070 2.215364
H 0.937810 3.833079 1.014457
H 3.254406 1.224798 4.620381
H 0.530445 4.404046 3.442656
H 1.696891 3.093298 5.242292


