%chk=000063001.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063001

0 1
 O   -1.437900       1.976000       1.797600    
 O   0.7847000      -2.228300      -1.219600    
 O    1.165100     -0.1518000      -2.045800    
 O   -3.148000       2.372800      -1.436800    
 O   -4.656400       3.869900     -0.6424000    
 N   0.5129000      0.4524000      0.7622000    
 N   -3.150800      0.8497000      0.6950000    
 C  -0.8480000     -8.4799998E-02  0.7011000    
 C  -0.9513000      -1.337200       1.565900    
 C   -2.386100      -1.765300       1.847400    
 C    1.478900     -0.5472000      0.3362000    
 C   -1.825000       1.002200       1.146000    
 C   -3.290800      -1.636200      0.6484000    
 C   -3.685300     -0.3717000      0.1543000    
 C    2.892200      4.5800000E-02  0.4220000    
 C    4.000300     -0.8674000     -0.1249000    
 C   -4.041500       2.008600      0.7546000    
 C   -3.819700      -2.804500      7.3600002E-02
 C   -4.651500     -0.3223000     -0.8666000    
 C    1.127800     -0.9210000      -1.093300    
 C    5.379500     -0.2549000     -0.1115000    
 C   -4.749300      -2.732300     -0.9608000    
 C   -5.171400      -1.492200      -1.423900    
 C   -3.993100       2.850800     -0.4942000    
 C    5.815800      0.4618000      -1.214900    
 C    6.185700     -0.4193000       1.004000    
 C    7.090400       1.028200      -1.202700    
 C    7.460400      0.1473000       1.016300    
 C    7.912500      0.8710000     -8.7099999E-02
 H   -1.100400     -0.3084000     -0.3420000    
 H  -0.4476000      -1.199400       2.532000    
 H  -0.4658000      -2.186300       1.072200    
 H   -2.383600      -2.796000       2.224400    
 H   -2.806500      -1.165200       2.665400    
 H    1.484900      -1.440100      0.9696000    
 H   0.7254000      0.7410000       1.717400    
 H    3.119200      0.2979000       1.466900    
 H    2.925700      0.9946000     -0.1325000    
 H    4.014800      -1.802200      0.4513000    
 H    3.770300      -1.170100      -1.154300    
 H   -5.070200       1.679700      0.9373000    
 H   -3.738500       2.650500       1.588800    
 H   -3.523200      -3.782700      0.4448000    
 H   -5.021600      0.6122000      -1.273500    
 H   -5.154500      -3.642400      -1.392900    
 H   -5.906900      -1.432100      -2.221000    
 H    5.181600      0.5918000      -2.087300    
 H    5.841400     -0.9793000       1.868700    
 H   0.5688000      -2.461600      -2.147600    
 H    7.442400       1.592300      -2.061400    
 H    8.100500      2.5599999E-02   1.885300    
 H    8.904900       1.312300     -7.7299997E-02
 H   -3.136100       2.936300      -2.239500    


%chk=000063001-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063001

0 1
O -1.221587 1.924534 0.821151
O -0.338305 -0.290195 -1.583283
O 1.233395 1.422407 -1.507298
O -1.866244 1.863179 -2.208474
O -2.882464 3.813200 -1.469787
N 0.548106 -0.211359 1.335430
N -2.906699 0.513171 0.103632
C -0.898739 -0.487322 1.257622
C -1.477069 -0.922295 2.630352
C -3.035743 -0.966695 2.604979
C 1.363980 -0.490989 0.112703
C -1.680227 0.741781 0.730249
C -3.613798 -1.531851 1.313951
C -3.545135 -0.782363 0.100210
C 2.842519 -0.169857 0.387786
C 3.784681 -0.619902 -0.761794
C -3.596258 1.696381 -0.449014
C -4.243567 -2.798895 1.275249
C -4.102433 -1.289166 -1.097548
C 0.813907 0.319196 -1.081413
C 5.230001 -0.218163 -0.503942
C -4.808999 -3.307508 0.084283
C -4.741348 -2.546681 -1.105244
C -2.754752 2.582601 -1.367579
C 5.645156 1.124368 -0.709168
C 6.182294 -1.154430 -0.027526
C 6.975144 1.519337 -0.445278
C 7.515083 -0.763524 0.239454
C 7.916081 0.576007 0.031538
H -1.053264 -1.311020 0.540028
H -1.139462 -0.222636 3.417673
H -1.055812 -1.915430 2.869601
H -3.396368 -1.558972 3.464320
H -3.416552 0.064825 2.745099
H 1.242855 -1.563678 -0.128712
H 0.712588 0.751781 1.672033
H 3.133521 -0.666350 1.331541
H 2.953788 0.921770 0.535808
H 3.711477 -1.718575 -0.882107
H 3.434642 -0.159696 -1.705241
H -4.488039 1.355565 -1.002258
H -3.933635 2.367706 0.360917
H -4.303714 -3.385554 2.199623
H -4.009896 -0.714278 -2.025980
H -5.298059 -4.287336 0.084222
H -5.166671 -2.936005 -2.036270
H 4.920142 1.858015 -1.084078
H 5.878056 -2.196753 0.132102
H -0.925303 0.389393 -2.046900
H 7.279607 2.558845 -0.613587
H 8.238294 -1.501808 0.604962
H 8.948931 0.881079 0.234714
H -1.279008 2.512645 -2.683851


