%chk=000154814.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154814

0 1
 O  -0.2409000       2.369700     -6.6900000E-02
 O    5.765300      0.1003000     -0.5035000    
 O    3.689500      -2.503500      0.6988000    
 O   -4.663900      -2.300100      -1.138900    
 N    4.525900     -0.4647000     -9.3800001E-02
 N   -4.958800     -0.5126000      0.3699000    
 C   0.9489000       1.661100     -7.4500002E-02
 C    3.326500      0.2480000     -8.7499999E-02
 C   -1.398200       1.661700      4.1299999E-02
 C   -3.771800      0.2122000      0.2605000    
 C    1.134600      0.6464000      0.8470000    
 C    1.921300       1.987500      -1.002200    
 C    2.333600     -6.6200003E-02  0.8405000    
 C    3.120400       1.274800      -1.008900    
 C   -1.585700      0.5106000     -0.7239000    
 C   -2.397400       2.088100      0.9160000    
 C   -2.772600     -0.2141000     -0.6143000    
 C   -3.584300       1.363300       1.025700    
 C    4.624000      -1.806500      0.3032000    
 C   -5.324500      -1.681700     -0.3106000    
 C    6.006600      -2.418200      0.2308000    
 C   -6.698500      -2.156100      9.1300003E-02
 H   0.3915000      0.4082000       1.602500    
 H    1.761500       2.785800      -1.720600    
 H    2.467200     -0.8090000       1.619600    
 H    3.880500       1.531100      -1.742200    
 H  -0.8340000      0.1691000      -1.430900    
 H   -2.256900       2.984000       1.514600    
 H   -2.847400      -1.090600      -1.242700    
 H   -4.354400       1.707200       1.711600    
 H   -5.637800     -0.1369000       1.028800    
 H    6.378400      -2.387100     -0.7970000    
 H    6.689900      -1.881300      0.8944000    
 H    5.962600      -3.463500      0.5510000    
 H   -6.709100      -2.395200       1.158400    
 H   -6.962200      -3.052500     -0.4768000    
 H   -7.436100      -1.375700     -0.1160000    
 H    6.020400      0.5582000      0.3158000    


%chk=000154814-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000154814

0 1
O -0.235566 2.004224 -0.084107
O 5.908784 0.365264 -0.618359
O 4.460773 -2.569595 0.876101
O -5.219398 -2.381037 -0.813857
N 4.884677 -0.444210 0.025741
N -5.385348 -0.325504 0.310754
C 0.991304 1.294735 -0.072766
C 3.559759 0.112907 -0.011401
C -1.475003 1.323161 0.032852
C -4.059791 0.187028 0.189665
C 1.211369 0.125197 0.690115
C 2.049337 1.875242 -0.802944
C 2.488659 -0.468548 0.723155
C 3.328495 1.287977 -0.775404
C -1.731341 0.067513 -0.562849
C -2.505273 2.021195 0.699149
C -3.017164 -0.505295 -0.483713
C -3.790761 1.454509 0.773729
C 5.290088 -1.742111 0.396751
C -5.901929 -1.531485 -0.167537
C 6.764434 -2.058510 0.199620
C -7.379100 -1.760165 0.148838
H 0.396896 -0.322299 1.267766
H 1.857720 2.777768 -1.390429
H 2.658629 -1.379489 1.297372
H 4.139357 1.718708 -1.367004
H -0.937059 -0.462237 -1.097923
H -2.287753 2.996496 1.143592
H -3.228687 -1.473607 -0.940158
H -4.588899 2.000599 1.292910
H -6.039582 0.275415 0.816474
H 7.068249 -1.920099 -0.851420
H 7.406671 -1.401242 0.813239
H 6.922831 -3.103622 0.503998
H -7.480825 -2.698527 0.720829
H -7.930769 -1.894325 -0.797598
H -7.850017 -0.941984 0.721590
H 6.170333 1.047755 0.063730


