%chk=000030808.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030808

0 1
 O   1.0200000E-02 -0.9517000     -0.6125000    
 O   0.7293000      -2.712200      0.6677000    
 O    4.474100     -0.8133000      5.6899998E-02
 O   0.4570000       1.475400      0.4132000    
 O   -1.931100       4.026200      0.3608000    
 O   -1.953200       2.018000       1.257700    
 N   -4.122700      -1.108700      3.1800002E-02
 N    3.948400      0.4693000     -4.0300000E-02
 N   -1.362700       2.919700      0.5941000    
 C   -1.301800      -1.499800     -0.6236000    
 C   -2.211000     -0.5952000      -1.449300    
 C   -1.829900      -1.618700      0.8033000    
 C   -3.668900      -1.045900      -1.365000    
 C   -3.299200      -2.038400      0.8183000    
 C   -5.532100      -1.494800      9.4999999E-02
 C   0.9609000      -1.661000      7.9599999E-02
 C    2.287700      -1.039600      4.8900001E-02
 C    2.623000      0.3004000     -4.2900000E-02
 C    3.457600      -1.711600      0.1097000    
 C    1.700700       1.446800     -0.1342000    
 C    3.843200      -3.125500      0.2150000    
 C    1.971500       2.631100     -0.7797000    
 C   0.8206000       3.438800     -0.6185000    
 C  -7.1699999E-02   2.690900      0.1139000    
 H   -1.267600      -2.489900      -1.097300    
 H   -1.877900     -0.5924000      -2.494300    
 H   -2.118200      0.4431000      -1.108900    
 H   -1.707100     -0.6622000       1.326200    
 H   -1.292100      -2.349900       1.409600    
 H   -4.281500     -0.3267000      -1.922200    
 H   -3.782000      -2.021000      -1.857000    
 H   -3.394300      -3.063900      0.4373000    
 H   -3.642800      -2.044500       1.860000    
 H   -5.708300      -2.490600     -0.3277000    
 H   -5.885600      -1.492600       1.132000    
 H   -6.153100     -0.7743000     -0.4488000    
 H    3.292600      -3.732900     -0.5102000    
 H    3.627100      -3.507200       1.217600    
 H    4.911900      -3.264400      2.3100000E-02
 H    2.878900       2.892800      -1.306400    
 H   0.6671000       4.441000     -0.9932000    


%chk=000030808-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030808

0 1
O 0.024098 -1.052991 -0.520297
O 0.900027 -2.985061 0.461718
O 4.576120 -0.744159 -0.118427
O 0.588088 1.486435 0.636167
O -1.725191 4.198910 0.974648
O -1.758816 2.079895 1.867780
N -4.218854 -1.117285 -0.232524
N 3.959590 0.580401 -0.194230
N -1.230576 3.010422 1.141585
C -1.368896 -1.631316 -0.477273
C -2.151506 -0.955788 -1.606793
C -2.004945 -1.355269 0.894185
C -3.624695 -1.417150 -1.553963
C -3.486858 -1.790824 0.865585
C -5.669601 -1.377616 -0.189578
C 1.040975 -1.809428 0.031752
C 2.333529 -1.085445 -0.000821
C 2.621196 0.330263 -0.128330
C 3.579945 -1.712202 0.017491
C 1.745824 1.493577 -0.162010
C 4.021325 -3.130923 0.120553
C 1.870658 2.727789 -0.806078
C 0.747562 3.527552 -0.416747
C -0.000450 2.739281 0.452494
H -1.277832 -2.722247 -0.645970
H -1.708501 -1.205885 -2.588236
H -2.111442 0.140387 -1.473104
H -1.943336 -0.276442 1.120374
H -1.469133 -1.912108 1.683900
H -4.205133 -0.886483 -2.330805
H -3.679825 -2.514438 -1.792296
H -3.546984 -2.908857 0.768647
H -3.963700 -1.519006 1.824549
H -5.933990 -2.456468 -0.334680
H -6.075300 -1.055667 0.785928
H -6.176409 -0.793044 -0.978220
H 3.145209 -3.767095 0.316688
H 4.748378 -3.251882 0.943078
H 4.515890 -3.459552 -0.811526
H 2.677716 3.004108 -1.480194
H 0.502846 4.540216 -0.725320


