%chk=000050039.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050039

0 1
 O    2.310400      0.4169000     -3.9000001E-02
 O   -4.652300       1.008800      0.4955000    
 O    1.369100      -1.646700     -0.3314000    
 N    5.990100      0.4056000     -0.2523000    
 N   7.3799998E-02  0.2606000      7.4600004E-02
 C    4.641800      0.9492000     -9.3699999E-02
 C    3.600900     -0.1522000     -0.2162000    
 C    6.986300       1.471300     -0.1510000    
 C    6.244900     -0.6293000      0.7492000    
 C   -1.251200     -0.2320000      7.3700003E-02
 C   -3.609600      0.1590000      0.2864000    
 C   -2.302300      0.6452000      0.2883000    
 C   -1.473000      -1.582700     -0.1428000    
 C    1.244400     -0.4466000     -0.1195000    
 C   -3.848700      -1.198000      7.0000000E-02
 C   -2.780400      -2.068800     -0.1446000    
 C   -5.892300      0.6811000     -0.1292000    
 C   -6.651900       1.958400     -0.4177000    
 H    4.521400       1.465000      0.8688000    
 H    4.443700       1.702100     -0.8676000    
 H    3.659400     -0.6253000      -1.204000    
 H    3.719000     -0.9154000      0.5589000    
 H    6.973800       1.957800      0.8313000    
 H    7.993100       1.076800     -0.3280000    
 H    6.812000       2.235500     -0.9167000    
 H    7.304000     -0.9159000      0.7394000    
 H    6.002300     -0.2999000       1.766300    
 H    5.705000      -1.554900      0.5273000    
 H   -2.121200       1.703600      0.4571000    
 H   0.1750000       1.259400      0.2384000    
 H  -0.6992000      -2.316700     -0.3143000    
 H   -4.848200      -1.622000      8.8299997E-02
 H   -2.967100      -3.126600     -0.3068000    
 H   -6.477900      4.5899998E-02  0.5444000    
 H   -5.743700      0.1641000      -1.085600    
 H   -7.615200       1.743500     -0.8886000    
 H   -6.828100       2.519100      0.5062000    
 H   -6.072500       2.610700      -1.079700    


%chk=000050039-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050039

0 1
O 2.332124 0.356049 -0.369986
O -4.583310 1.180173 -0.142374
O 1.431854 -1.821192 -0.218277
N 6.060537 0.430027 -0.009808
N 0.091179 0.138921 -0.275427
C 4.651202 0.873903 0.082554
C 3.702364 -0.214697 -0.438293
C 7.011888 1.556946 -0.083513
C 6.438340 -0.540599 1.039107
C -1.235455 -0.367964 -0.197278
C -3.630110 0.148785 -0.130398
C -2.286079 0.579550 -0.201364
C -1.525125 -1.758299 -0.120822
C 1.276601 -0.576969 -0.281247
C -3.938354 -1.232988 -0.054412
C -2.872527 -2.161663 -0.051095
C -6.007656 0.799222 -0.071116
C -6.812467 2.095854 -0.097029
H 4.352988 1.156718 1.123056
H 4.525504 1.773078 -0.547682
H 3.935592 -0.461291 -1.488822
H 3.730184 -1.141341 0.160425
H 7.033446 2.186401 0.842449
H 8.032229 1.167129 -0.250231
H 6.754007 2.209460 -0.936288
H 7.468156 -0.895903 0.857418
H 6.397435 -0.106839 2.070957
H 5.772849 -1.419995 1.012655
H -2.087369 1.655681 -0.259533
H 0.204346 1.153086 -0.335924
H -0.711185 -2.484618 -0.117633
H -4.971179 -1.586773 0.000432
H -3.101414 -3.231740 0.007361
H -6.191062 0.229780 0.863323
H -6.259921 0.150891 -0.935441
H -7.893752 1.872855 -0.045601
H -6.545669 2.736612 0.760622
H -6.614589 2.658350 -1.025364


