%chk=000040280.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040280

0 1
 O    1.480200       1.302900      0.7824000    
 O   -5.350400      0.6012000     -0.7005000    
 O   0.9724000     -0.9238000      0.6640000    
 N    5.006400      0.5450000      2.2000000E-02
 N  -0.6423000      0.7359000      0.3201000    
 C    5.160500     -0.8851000      0.3233000    
 C    5.838700      0.9393000      -1.123300    
 C    6.617000      -1.228500      0.6391000    
 C    7.317500      0.6556000     -0.8546000    
 C    7.544600     -0.8082000     -0.4952000    
 C    3.602100      0.8660000     -0.2315000    
 C    2.831900      0.9739000       1.074900    
 C   0.6209000      0.2474000      0.5919000    
 C   -1.822400      2.0000001E-03  6.1299998E-02
 C   -3.018600      0.6722000     -0.1949000    
 C   -4.182800     -5.2299999E-02 -0.4502000    
 C   -6.557200     -5.4800000E-02 -0.3149000    
 C   -7.604900      0.9973000      1.5000000E-02
 C   -1.790500      -1.392500      6.2600002E-02
 C   -4.150900      -1.446800     -0.4489000    
 C   -2.954800      -2.117000     -0.1926000    
 C   -8.917300      0.3704000      0.4501000    
 H    4.816300      -1.500600     -0.5185000    
 H    4.564200      -1.170700       1.196000    
 H    5.731300       2.014700      -1.310800    
 H    5.521300      0.4152000      -2.034600    
 H    6.920800     -0.7249000       1.565700    
 H    6.713900      -2.306000      0.8146000    
 H    7.910900      0.9155000      -1.738500    
 H    7.670600       1.292600     -3.3599999E-02
 H    8.589100     -0.9671000     -0.2058000    
 H    7.354400      -1.435100      -1.375000    
 H    3.514900       1.839600     -0.7335000    
 H    3.133000      0.1463000     -0.9151000    
 H    2.885700      7.2499998E-02   1.694000    
 H    3.236900       1.791300       1.682900    
 H  -0.7389000       1.748300      0.3032000    
 H   -3.051100       1.759200     -0.1973000    
 H   -6.902200     -0.6840000      -1.143500    
 H   -6.410200     -0.6753000      0.5788000    
 H   -7.228200       1.657200      0.8057000    
 H   -7.769900       1.638700     -0.8590000    
 H  -0.9022000      -1.979400      0.2508000    
 H   -5.027600      -2.048400     -0.6702000    
 H   -2.929400      -3.203000     -0.1982000    
 H   -9.329100     -0.2657000     -0.3399000    
 H   -8.782300     -0.2407000       1.348200    
 H   -9.652500       1.148800      0.6770000    


%chk=000040280-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040280

0 1
O 1.507584 1.244699 0.918646
O -5.383546 0.659942 0.076412
O 1.073672 -1.072940 0.790526
N 5.053516 0.487591 -0.159566
N -0.626134 0.578665 0.628247
C 5.248503 -0.984078 -0.079425
C 5.967462 1.104814 -1.152823
C 6.696068 -1.325622 0.327572
C 7.439881 0.832088 -0.780332
C 7.703667 -0.686605 -0.656108
C 3.633078 0.869483 -0.326023
C 2.958941 0.950946 1.057128
C 0.671007 0.117304 0.773422
C -1.814743 -0.185588 0.467149
C -3.027834 0.532335 0.346582
C -4.249145 -0.159703 0.184854
C -6.694075 0.005179 -0.090960
C -7.740980 1.117087 -0.193172
C -1.816930 -1.607148 0.424869
C -4.271222 -1.576519 0.141616
C -3.047224 -2.273298 0.262744
C -9.164260 0.545337 -0.373814
H 5.020187 -1.465976 -1.067012
H 4.534971 -1.401691 0.653522
H 5.777409 2.194199 -1.173667
H 5.774814 0.710465 -2.186140
H 6.879138 -0.940895 1.349444
H 6.820707 -2.425355 0.354283
H 8.102898 1.283480 -1.543639
H 7.655068 1.324519 0.187848
H 8.742504 -0.872566 -0.323494
H 7.593605 -1.161770 -1.653293
H 3.577272 1.860760 -0.811843
H 3.068513 0.152356 -0.967846
H 3.080781 0.004960 1.611603
H 3.361460 1.789831 1.644136
H -0.721145 1.596335 0.651083
H -3.050787 1.627559 0.376276
H -6.685933 -0.618402 -1.009838
H -6.896959 -0.651820 0.780899
H -7.690877 1.738584 0.720276
H -7.480569 1.774310 -1.043584
H -0.879264 -2.156666 0.518846
H -5.205792 -2.129963 0.018989
H -3.055058 -3.368633 0.230275
H -9.244480 -0.053195 -1.300695
H -9.448527 -0.104998 0.474858
H -9.907423 1.359703 -0.435331


