%chk=000049700.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049700

0 1
 O  -0.3566000      -4.194600      -1.492200    
 O  -0.2010000      0.3462000      0.3267000    
 O    4.451700     -0.6240000      0.5304000    
 O   0.5265000       4.116000      -1.024600    
 N   0.7045000      -2.129100      0.1538000    
 C    1.783500      -1.507400      0.9187000    
 C    1.070900      -2.246400      -1.264500    
 C   0.3737000      -3.452900      0.6994000    
 C    2.107000     -0.1326000      0.4263000    
 C  -6.4900003E-02  -2.908200      -2.039400    
 C  -0.7450000      -4.087200     -0.1221000    
 C    1.085600      0.7729000      0.1373000    
 C    1.394700       2.049000     -0.3217000    
 C    3.438700      0.2447000      0.2539000    
 C    2.727600       2.431500     -0.4950000    
 C    3.748200       1.524800     -0.2057000    
 C   0.2983000       2.982800     -0.6204000    
 C   -1.237000       1.222400      5.2299999E-02
 C   -1.090200       2.482100     -0.4054000    
 C   -2.551500      0.6188000      0.3140000    
 C   -2.189400       3.448900     -0.7398000    
 C   -3.214200     -7.6099999E-02 -0.6981000    
 C   -3.136900      0.7405000       1.574400    
 C    4.968500     -0.6144000       1.859400    
 C   -4.461600     -0.6486000     -0.4500000    
 C   -4.384400      0.1677000       1.822400    
 C   -5.046700     -0.5269000      0.8101000    
 H    2.662200      -2.163400      0.9010000    
 H    1.485800      -1.414000       1.971600    
 H    1.980500      -2.852700      -1.370800    
 H    1.259700      -1.275800      -1.733500    
 H   4.2700000E-02  -3.362900       1.740300    
 H    1.255600      -4.106200      0.6777000    
 H  -0.9724000      -2.292400      -2.032800    
 H   0.2302000      -3.051500      -3.083900    
 H  -0.9511000      -5.097400      0.2456000    
 H   -1.675800      -3.511300     -4.9699999E-02
 H    2.989200       3.423300     -0.8525000    
 H    4.784200       1.823500     -0.3422000    
 H   -2.125800       3.745100      -1.792300    
 H   -2.102900       4.348500     -0.1212000    
 H   -3.189700       3.038300     -0.5780000    
 H   -2.770200     -0.1806000      -1.685200    
 H   -2.632700       1.278400       2.373700    
 H    4.177600     -0.8134000       2.589500    
 H    5.443200      0.3480000       2.075500    
 H    5.723000      -1.401700       1.938900    
 H   -4.977000      -1.190000      -1.238000    
 H   -4.840100      0.2622000       2.803700    
 H   -6.017800     -0.9730000       1.003300    


%chk=000049700-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049700

0 1
O 0.152080 -4.596647 -1.700639
O -0.452204 0.554399 0.637331
O 4.084961 -0.911309 0.751935
O 0.557309 4.403870 -0.555273
N 0.676899 -2.310294 0.013352
C 1.340278 -1.550726 1.114910
C 1.613311 -2.682831 -1.079217
C -0.012948 -3.520155 0.532109
C 1.816946 -0.176243 0.680721
C 0.841695 -3.393606 -2.201785
C -0.763244 -4.221763 -0.611838
C 0.894543 0.871270 0.443924
C 1.274066 2.180644 0.055312
C 3.190902 0.142410 0.516948
C 2.657108 2.450010 -0.094041
C 3.612446 1.451035 0.134174
C 0.246482 3.214493 -0.199272
C -1.464265 1.498185 0.360771
C -1.167463 2.787130 -0.054710
C -2.786078 0.851378 0.536730
C -2.213113 3.812330 -0.435013
C -2.909949 -0.539359 0.250286
C -3.926103 1.562230 1.000977
C 5.521762 -0.643704 0.625455
C -4.151752 -1.189151 0.398387
C -5.164813 0.903763 1.153970
C -5.285799 -0.471126 0.847145
H 2.201161 -2.115188 1.538660
H 0.583968 -1.426294 1.912312
H 2.428349 -3.352266 -0.705959
H 2.083597 -1.765711 -1.478730
H -0.734784 -3.214510 1.314052
H 0.707907 -4.243304 0.991887
H 0.097944 -2.694386 -2.641499
H 1.524023 -3.754093 -2.989271
H -1.218885 -5.166106 -0.270311
H -1.554148 -3.545259 -1.005878
H 2.946275 3.462047 -0.394887
H 4.674266 1.681284 0.014166
H -1.763771 4.513754 -1.157878
H -2.523559 4.422224 0.435074
H -3.113490 3.350548 -0.872765
H -2.025125 -1.089360 -0.089427
H -3.840605 2.617584 1.273165
H 5.850408 0.129620 1.345393
H 5.783735 -0.333210 -0.403852
H 6.009011 -1.601210 0.859761
H -4.238009 -2.255733 0.161510
H -6.032850 1.462658 1.520275
H -6.250075 -0.978421 0.962452


