%chk=000050839.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050839

0 1
 O    5.586700       1.158500     -0.6271000    
 O  -0.3428000     -0.9476000      0.5346000    
 O  -0.9538000      -3.037500     -0.3812000    
 N    3.252400     -0.1700000      0.3152000    
 C    3.282000      0.4960000     -0.9944000    
 C    4.185000      0.4922000       1.237900    
 C    1.897700     -0.1770000      0.8632000    
 C    4.707100      0.5013000      -1.540200    
 C    5.588900      0.4988000      0.6395000    
 C   0.9556000     -0.9521000     -4.4100001E-02
 C   -1.296000      -1.658400     -0.2581000    
 C   -2.651700      -1.591900      0.4514000    
 C   -3.373800     -0.2921000      0.1985000    
 C   -3.168300      0.7788000       1.055100    
 C   -4.231400     -0.1896000     -0.8862000    
 C   -3.836400       1.980800      0.8216000    
 C   -4.899400       1.012400      -1.120000    
 C   -4.701900       2.097500     -0.2660000    
 H    2.916900       1.527700     -0.9095000    
 H    2.677300     -2.5699999E-02  -1.740500    
 H    4.210800     -3.6200002E-02   2.197700    
 H    3.864300       1.525100       1.426300    
 H    1.513500      0.8404000       1.017100    
 H    1.892700     -0.6546000       1.851700    
 H    5.071800     -0.5154000      -1.732100    
 H    4.742100       1.049600      -2.487100    
 H    6.272000       1.045000       1.297900    
 H    5.983500     -0.5179000      0.5221000    
 H    1.314100      -1.981700     -0.1572000    
 H   0.8614000     -0.4949000      -1.032400    
 H   -1.358000      -1.219300      -1.261800    
 H   -3.291500      -2.421200      0.1204000    
 H   -2.525300      -1.739200       1.532500    
 H   -2.495700      0.6983000       1.904300    
 H   -4.390200      -1.028100      -1.558200    
 H  -0.4115000      -3.131000      -1.182700    
 H   -3.682300       2.825800       1.486200    
 H   -5.572800       1.103700      -1.967100    
 H   -5.221900       3.033500     -0.4481000    


%chk=000050839-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050839

0 1
O 5.604843 1.298597 -0.493622
O -0.400250 -1.272367 0.553793
O -1.166587 -3.441538 -0.225630
N 3.103475 0.006654 0.233217
C 3.223165 0.819336 -1.006562
C 4.038496 0.518395 1.269478
C 1.709432 -0.112814 0.719813
C 4.673879 0.792636 -1.515150
C 5.478418 0.490778 0.731714
C 0.934045 -1.185267 -0.060138
C -1.384344 -1.994842 -0.244614
C -2.761612 -1.758948 0.388867
C -3.308209 -0.357137 0.157913
C -2.768322 0.763559 0.842405
C -4.373876 -0.144707 -0.754126
C -3.282544 2.060284 0.619853
C -4.889612 1.152503 -0.981142
C -4.344800 2.260703 -0.293403
H 2.918128 1.880968 -0.823609
H 2.557683 0.406324 -1.787369
H 3.969527 -0.126485 2.165735
H 3.784939 1.564852 1.574589
H 1.150315 0.852403 0.668169
H 1.731187 -0.421071 1.780976
H 4.950649 -0.247650 -1.792370
H 4.802461 1.456445 -2.386078
H 6.182423 0.937201 1.453254
H 5.774185 -0.559429 0.519394
H 1.474094 -2.150694 0.020201
H 0.835736 -0.914846 -1.135095
H -1.333602 -1.617608 -1.293539
H -3.446555 -2.513211 -0.035361
H -2.653781 -1.975469 1.467575
H -1.941122 0.608293 1.542986
H -4.807384 -1.002329 -1.284104
H -0.343676 -3.667016 -0.729446
H -2.858335 2.914649 1.160204
H -5.716033 1.296121 -1.686748
H -4.745333 3.266729 -0.462829


