%chk=000045915.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045915

0 1
 O   0.4746000      -2.687300      -1.257700    
 O    2.559300      -1.952900     -0.5854000    
 N   -3.059900       1.679600     -0.7033000    
 C   0.6422000     -0.4624000     -0.4889000    
 C   0.1072000      1.9700000E-02  -1.864100    
 C   -2.182700      0.5380000     -0.9880000    
 C  -0.9521000       1.100900      -1.705900    
 C  -0.5227000     -0.7718000      0.4681000    
 C   -1.834400     -0.2954000      0.2356000    
 C    1.638700      0.5818000      6.0699999E-02
 C    1.363500      -1.774000     -0.7728000    
 C  -0.2734000      -1.534600       1.631400    
 C   -2.858300     -0.6671000       1.130900    
 C    1.424500       1.139000       1.314500    
 C    2.736700      0.9502000     -0.7054000    
 C   -3.341100       2.420500      -1.930400    
 C   -2.447700       2.551600      0.2960000    
 C   -1.296300      -1.861400       2.519100    
 C   -2.591500      -1.435900       2.263000    
 C    2.324500       2.081800       1.811100    
 C    3.636700       1.893100     -0.2086000    
 C    3.430500       2.458900       1.049700    
 C    1.021800      -3.972400      -1.569300    
 H  -0.3551000     -0.8033000      -2.427200    
 H   0.9046000      0.3855000      -2.521000    
 H   -2.701700     -0.1481000      -1.672700    
 H  -0.4745000       1.946900      -1.205400    
 H   -1.201400       1.430500      -2.721900    
 H   0.7306000      -1.890600       1.853300    
 H   -3.884300     -0.3524000      0.9516000    
 H   0.5714000      0.9152000       1.942500    
 H    2.930700      0.5189000      -1.682700    
 H   -3.666900       1.755800      -2.738900    
 H   -4.182500       3.099700      -1.746000    
 H   -2.515800       3.047100      -2.286700    
 H   -2.164400       2.039300       1.220200    
 H   -1.588800       3.130900     -5.5799998E-02
 H   -3.195700       3.292600      0.6071000    
 H   -1.081100      -2.454800       3.402500    
 H   -3.396300      -1.699000       2.942800    
 H    2.160900       2.528400       2.787600    
 H    4.499400       2.185200     -0.8003000    
 H    4.130600       3.193900       1.435900    
 H    1.786400      -3.879800      -2.346400    
 H   0.2128000      -4.603800      -1.945800    
 H    1.438400      -4.434300     -0.6692000    


%chk=000045915-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045915

0 1
O 0.631499 -2.628650 -1.664280
O 2.388505 -2.334014 -0.183695
N -3.152646 1.665928 -0.669510
C 0.721845 -0.486192 -0.506654
C 0.204633 0.108709 -1.861139
C -2.094014 0.666571 -0.984786
C -0.799793 1.246603 -1.617101
C -0.464577 -0.746009 0.460791
C -1.762070 -0.204901 0.238898
C 1.763584 0.486112 0.100232
C 1.372699 -1.872598 -0.750590
C -0.232314 -1.536479 1.617783
C -2.797040 -0.503533 1.162629
C 1.450204 1.328518 1.194076
C 3.041267 0.616600 -0.505119
C -3.858323 2.186358 -1.853005
C -2.757108 2.730723 0.271805
C -1.266381 -1.820668 2.530677
C -2.562998 -1.304985 2.297217
C 2.385358 2.276113 1.671897
C 3.977056 1.558493 -0.030805
C 3.652703 2.396568 1.062254
C 1.090332 -4.025135 -1.853736
H -0.281213 -0.692486 -2.445910
H 1.071104 0.468493 -2.445083
H -2.547474 -0.008332 -1.744485
H -0.354999 2.011132 -0.952599
H -1.042990 1.740751 -2.576527
H 0.776109 -1.924640 1.803484
H -3.783323 -0.067756 0.968794
H 0.475772 1.239630 1.685121
H 3.316099 -0.033385 -1.343897
H -4.200738 1.345798 -2.483783
H -4.750432 2.752876 -1.527005
H -3.244594 2.869704 -2.491587
H -2.277627 2.283840 1.159793
H -2.053849 3.482714 -0.162368
H -3.660290 3.272620 0.608602
H -1.062647 -2.435315 3.414576
H -3.379425 -1.520919 2.995780
H 2.121424 2.916066 2.521671
H 4.960695 1.635081 -0.507966
H 4.379788 3.127445 1.433859
H 2.129378 -4.041855 -2.223235
H 0.396448 -4.448661 -2.593324
H 1.037763 -4.573234 -0.897948


