%chk=000040652.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040652

0 1
 O  -0.7088000      0.3363000      0.5419000    
 O    2.509400      0.9106000     -0.8858000    
 O   -1.147500      -2.421200       1.166700    
 O    1.851100      0.6057000       1.305600    
 O   -1.404000      -2.965500      -1.055200    
 N    5.897200     -0.3107000     -1.3500000E-02
 C   -2.337700       2.665900      0.4619000    
 C   -2.857700       1.307700      0.1234000    
 C   -2.024900      0.1899000      0.1752000    
 C    3.867500       1.037900     -0.4657000    
 C   -2.528900      -1.070800     -0.1444000    
 C    4.510500     -0.3510000     -0.4572000    
 C   -4.194700       1.164500     -0.2477000    
 C   -3.046600       3.278200       1.683900    
 C   -2.414600       3.637800     -0.7299000    
 C   -3.865800      -1.214000     -0.5157000    
 C   -4.698700     -9.6299998E-02 -0.5675000    
 C    4.554900       2.009300      -1.416900    
 C   0.2239000      0.5837000     -0.4913000    
 C   -4.434000      -2.551300     -0.8639000    
 C   -1.654400      -2.237500     -8.8900000E-02
 C    1.599400      0.6955000      0.1116000    
 C    5.970600     -0.1377000       1.438900    
 C    6.604200      -1.528900     -0.4146000    
 C  -0.2705000      -3.538000       1.348900    
 H   -1.279400       2.613100      0.7408000    
 H    3.899700       1.495600      0.5297000    
 H    4.451700     -0.7396000      -1.484000    
 H    3.914000      -1.051200      0.1432000    
 H   -4.862800       2.019900     -0.2958000    
 H   -2.980300       2.607900       2.548200    
 H   -2.580800       4.230300       1.960800    
 H   -4.107000       3.471800       1.489800    
 H   -3.449000       3.849800      -1.021000    
 H   -1.939000       4.591900     -0.4778000    
 H   -1.897900       3.225700      -1.603800    
 H   -5.742200     -0.1898000     -0.8563000    
 H    4.017500       2.964000      -1.438500    
 H    5.590400       2.205100      -1.123700    
 H    4.547200       1.623900      -2.442500    
 H  -9.6000005E-03   1.522400      -1.003900    
 H   0.2254000     -0.2485000      -1.203500    
 H   -4.207900      -3.287800     -8.5600004E-02
 H   -5.525300      -2.514900     -0.9552000    
 H   -4.034700      -2.898500      -1.822200    
 H    5.456600     -0.9412000       1.979300    
 H    7.016400     -0.1253000       1.767300    
 H    5.547800      0.8202000       1.756000    
 H    7.654500      -1.484500     -0.1051000    
 H    6.153600      -2.429100      1.8999999E-02
 H    6.605700      -1.633000      -1.505400    
 H  -0.7934000      -4.470700       1.117600    
 H   0.6171000      -3.425400      0.7192000    
 H   4.1099999E-02  -3.558800       2.396400    


%chk=000040652-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040652

0 1
O -0.641253 0.239037 0.614781
O 2.546636 0.978770 -0.972499
O -2.196125 -3.263965 1.054196
O 2.032191 0.628946 1.287432
O -0.644053 -2.519253 -0.501893
N 6.047730 -0.007027 0.053193
C -2.144065 2.725844 0.384472
C -2.764141 1.353230 0.116427
C -2.002219 0.159482 0.210878
C 3.993093 1.217175 -0.627545
C -2.593096 -1.125201 0.041728
C 4.706794 -0.155189 -0.556192
C -4.138797 1.216565 -0.195071
C -2.794497 3.391155 1.627527
C -2.241337 3.652525 -0.856113
C -3.981773 -1.243205 -0.256474
C -4.730760 -0.048098 -0.384549
C 4.550638 2.136390 -1.710204
C 0.314503 0.377966 -0.493931
C -4.663040 -2.586403 -0.455389
C -1.706340 -2.329858 0.141829
C 1.690547 0.665239 0.088973
C 6.009187 -0.005815 1.531601
C 7.050837 -0.951366 -0.475913
C -1.367675 -4.484707 1.223049
H -1.076045 2.569436 0.622323
H 4.018863 1.699511 0.366663
H 4.817208 -0.548544 -1.583762
H 4.064147 -0.872595 0.007437
H -4.759235 2.116169 -0.283679
H -2.694031 2.746248 2.518263
H -2.305895 4.359034 1.844756
H -3.871393 3.584310 1.464003
H -3.294781 3.860097 -1.122194
H -1.749494 4.621475 -0.651846
H -1.755789 3.198968 -1.739877
H -5.796576 -0.116450 -0.630149
H 4.076184 3.132236 -1.676604
H 5.636207 2.250616 -1.545400
H 4.385218 1.702931 -2.712833
H 0.027557 1.203396 -1.175205
H 0.348998 -0.567531 -1.069773
H -4.714567 -3.147210 0.494008
H -5.688788 -2.447156 -0.836735
H -4.116612 -3.223999 -1.174497
H 5.757985 -1.008835 1.958468
H 6.992199 0.303663 1.929918
H 5.250619 0.707868 1.894522
H 8.044719 -0.702984 -0.060762
H 6.834742 -2.020751 -0.225244
H 7.109653 -0.860823 -1.574947
H -1.271736 -5.019652 0.263153
H -0.363965 -4.210397 1.587503
H -1.909076 -5.087865 1.964974


