%chk=000047184.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047184

0 1
 O   -2.106500       1.252000     -0.3558000    
 O   1.9700000E-02  -3.379700     -0.4774000    
 N    2.596700      -2.136000      0.1982000    
 N  -0.5744000      -1.108500     -0.5015000    
 C    1.708800      -1.704700     -0.8808000    
 C    3.973800      -1.730200     -8.0200002E-02
 C    2.150600      -1.586500       1.477900    
 C   0.2976000      -2.191000     -0.5988000    
 C    4.475100      -2.342700      -1.377100    
 C    3.062300      -2.024800       2.611400    
 C   -1.966400      -1.141200     -0.2481000    
 C   -1.478400       3.473400      0.3506000    
 C   -2.186300       2.176500      0.7268000    
 C   -2.705200      4.0100001E-02 -0.1802000    
 C  -9.4999997E-03   3.265600      7.2400004E-02
 C   -2.599300      -2.370900     -6.5499999E-02
 C   -4.076600     -8.3999997E-03  7.0200004E-02
 C   0.9184000       3.371000       1.108600    
 C   0.4203000       2.967700      -1.220900    
 C   -3.970700      -2.419200      0.1851000    
 C   -4.709200      -1.238000      0.2530000    
 C    2.275900       3.178800      0.8516000    
 C    1.777800       2.775500      -1.477700    
 C    2.705500       2.881000     -0.4415000    
 H    1.749900     -0.6186000      -1.026100    
 H    1.967400      -2.171700      -1.837600    
 H    4.080300     -0.6387000     -0.1194000    
 H    4.654600      -2.100500      0.6927000    
 H    2.098500     -0.4902000       1.454600    
 H    1.149600      -1.954600       1.729300    
 H    5.561300      -2.215100      -1.447300    
 H    4.269500      -3.417600      -1.424900    
 H    4.047700      -1.859100      -2.260800    
 H    3.261300      -3.101600       2.582100    
 H    4.013400      -1.483500       2.618900    
 H    2.578400      -1.810700       3.571300    
 H   -1.600800       4.210800       1.153300    
 H   -1.948700       3.906400     -0.5416000    
 H  -0.1934000     -0.1724000     -0.6193000    
 H   -3.231300       2.412100      0.9568000    
 H   -1.725000       1.731600       1.617500    
 H   -2.102100      -3.329100     -0.1027000    
 H   -4.674200      0.8980000      0.1077000    
 H   0.5955000       3.600000       2.120600    
 H  -0.2919000       2.881800      -2.037300    
 H   -4.464900      -3.376000      0.3263000    
 H   -5.777800      -1.276100      0.4435000    
 H    2.998200       3.259200       1.658700    
 H    2.112400       2.541700      -2.484200    
 H    3.762200       2.729100     -0.6412000    


%chk=000047184-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047184

0 1
O -1.924013 1.089067 -0.374181
O 0.011270 -3.445700 -0.345513
N 2.768023 -2.187338 -0.219281
N -0.637453 -1.190336 -0.410006
C 1.653205 -1.751962 -1.080217
C 4.091580 -1.933318 -0.842385
C 2.648332 -1.637318 1.158268
C 0.278090 -2.229049 -0.565324
C 4.330776 -2.738554 -2.134257
C 3.595022 -2.305229 2.172345
C -1.991043 -1.260205 0.004853
C -1.420682 3.431089 -0.731780
C -2.463433 2.441607 -0.181431
C -2.691877 -0.013956 0.054267
C -0.088819 3.388186 0.004606
C -2.666415 -2.446484 0.377371
C -4.028492 0.048798 0.490731
C 0.084931 4.085139 1.227780
C 0.998309 2.633324 -0.504271
C -4.014259 -2.381084 0.802206
C -4.691784 -1.145301 0.865809
C 1.311030 4.025945 1.927782
C 2.226760 2.570103 0.191901
C 2.387082 3.266931 1.411818
H 1.637828 -0.633782 -1.216369
H 1.785020 -2.198056 -2.081962
H 4.243266 -0.837698 -1.047374
H 4.861087 -2.225822 -0.107340
H 2.801135 -0.524973 1.167726
H 1.609779 -1.817230 1.490923
H 5.385726 -2.639754 -2.449418
H 4.115376 -3.806607 -1.956781
H 3.704523 -2.393743 -2.976591
H 3.480799 -3.402113 2.124334
H 4.656867 -2.055470 1.997551
H 3.342483 -1.971236 3.195384
H -1.866843 4.442357 -0.661966
H -1.274553 3.213263 -1.805617
H -0.310192 -0.234557 -0.588456
H -3.417814 2.544850 -0.737146
H -2.652641 2.609844 0.898338
H -2.124747 -3.393131 0.333976
H -4.557707 1.005022 0.539072
H -0.741399 4.684131 1.631976
H 0.881602 2.099677 -1.456436
H -4.529102 -3.303831 1.089516
H -5.732579 -1.100727 1.203627
H 1.429144 4.574125 2.869311
H 3.057638 1.983924 -0.218152
H 3.339262 3.222184 1.951984


