%chk=000060449.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060449

0 1
 O   -1.399700     -0.2917000      8.0899999E-02
 O    2.385700       1.288400      -1.327600    
 O  -0.4277000      -2.342300     -0.1539000    
 N   -5.049500     -0.3465000     -0.4308000    
 N   0.9127000     -0.4783000      0.3221000    
 C   -3.728300      0.2088000     -0.1391000    
 C   -5.390200      -1.389900      0.5357000    
 C   -6.061200      0.7094000     -0.4209000    
 C   -2.666100     -0.8777000     -0.1910000    
 C   -6.733900      -2.020800      0.2116000    
 C   -5.723200       1.803000      -1.419900    
 C   0.9777000      0.9358000      0.5835000    
 C  -0.3123000      -1.138700      7.4800000E-02
 C    2.135000      -1.244700      0.3122000    
 C    1.712900       1.780000     -0.2489000    
 C   0.2965000       1.459900       1.682000    
 C    3.209200     -0.8546000       1.112100    
 C    2.242500      -2.376200     -0.4965000    
 C    1.766400       3.148200      1.7300000E-02
 C   0.3503000       2.828100       1.948300    
 C    1.085200       3.672200       1.116000    
 C    4.390900      -1.595700       1.103000    
 C    3.424200      -3.117400     -0.5054000    
 C    3.569600       1.978600      -1.721700    
 C    4.498400      -2.727000      0.2944000    
 C    4.535100      0.9890000      -2.338400    
 H   -3.700700      0.7106000      0.8377000    
 H   -3.426500      0.9580000     -0.8791000    
 H   -5.392600      -1.014000       1.566400    
 H   -4.685600      -2.224000      0.4865000    
 H   -7.033500      0.3144000     -0.7329000    
 H   -6.186400       1.148700      0.5769000    
 H   -2.645900      -1.349900      -1.180600    
 H   -2.816300      -1.640900      0.5766000    
 H   -7.575000      -1.370400      0.4708000    
 H   -6.809300      -2.296600     -0.8460000    
 H   -6.859600      -2.938800      0.7972000    
 H   -4.919800       2.458100      -1.069100    
 H   -5.449900       1.392100      -2.398000    
 H   -6.599900       2.443300      -1.570700    
 H  -0.2716000      0.8151000       2.347800    
 H    3.155800      8.8000000E-03   1.769200    
 H    1.480200      -2.680900      -1.204600    
 H    2.299000       3.847400     -0.6204000    
 H  -0.1793000       3.236000       2.804200    
 H    1.121100       4.738400       1.320100    
 H    5.226500      -1.293700       1.727800    
 H    3.516300      -3.986800      -1.149900    
 H    4.081000       2.440200     -0.8676000    
 H    3.309500       2.749000      -2.455900    
 H    5.419900      -3.301700      0.2843000    
 H    5.447300       1.489900      -2.674600    
 H    4.074700      0.4825000      -3.193100    
 H    4.806300      0.2116000      -1.617300    


%chk=000060449-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060449

0 1
O -0.949432 -0.320352 0.193019
O 1.484808 1.191762 -1.185976
O -0.079681 -2.424507 -0.337974
N -4.605427 -0.063594 -0.564747
N 1.235394 -0.756678 0.737279
C -3.286774 0.271383 0.028618
C -5.332286 -1.108953 0.207661
C -5.438588 1.130943 -0.863595
C -2.221399 -0.712200 -0.471947
C -6.315376 -1.921674 -0.656030
C -4.955542 1.901392 -2.107192
C 1.243565 0.642905 1.124856
C 0.074735 -1.275252 0.147384
C 2.455686 -1.518033 0.881200
C 1.384079 1.651021 0.127894
C 1.141656 1.005238 2.480163
C 3.661714 -0.823496 1.174194
C 2.488092 -2.935592 0.766678
C 1.410970 3.014746 0.510891
C 1.173871 2.364775 2.867133
C 1.306701 3.362609 1.877207
C 4.868945 -1.529828 1.351459
C 3.705609 -3.626494 0.945810
C 1.637812 2.189714 -2.265284
C 4.903677 -2.937979 1.240556
C 1.728949 1.408084 -3.572661
H -3.303145 0.261545 1.143943
H -2.994012 1.291767 -0.274476
H -5.871871 -0.664374 1.082376
H -4.579610 -1.801597 0.628075
H -6.470961 0.782226 -1.047430
H -5.490107 1.823141 0.015056
H -2.095409 -0.636984 -1.566151
H -2.456896 -1.760670 -0.217200
H -7.105825 -1.284700 -1.092842
H -5.776101 -2.410747 -1.485638
H -6.812113 -2.699830 -0.046784
H -3.926445 2.284327 -1.979709
H -4.965014 1.239023 -2.990189
H -5.613010 2.768788 -2.304910
H 1.038540 0.209853 3.225729
H 3.658282 0.266074 1.263480
H 1.577608 -3.481053 0.518529
H 1.514202 3.803538 -0.239790
H 1.092399 2.637670 3.923924
H 1.330313 4.420095 2.163532
H 5.785354 -0.971680 1.574674
H 3.710131 -4.718615 0.852846
H 2.555852 2.786189 -2.085636
H 0.763145 2.872001 -2.260280
H 5.842437 -3.485004 1.378825
H 1.848576 2.103849 -4.423063
H 0.815890 0.810121 -3.733099
H 2.591933 0.721408 -3.554889


