%chk=000178931.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178931

0 1
 O  -0.4331000     -0.2316000      -1.799600    
 O   -2.635900       2.197700     -0.3269000    
 C  -0.4157000     -0.5710000     -0.3867000    
 C  -0.8388000      0.7221000      0.3819000    
 C   -1.404300      -1.764400     -0.2546000    
 C    1.048800     -0.9444000     -6.8099998E-02
 C   0.1218000       1.873500     -2.5000000E-02
 C    2.021300      0.2072000     -0.3939000    
 C    1.590900       1.532900      0.2500000    
 C   -2.828900      -1.321000     -0.6476000    
 C   -2.284200       1.057900     -2.0900000E-02
 C   -3.302800     -6.5099999E-02  7.0400000E-02
 C  -0.8219000      0.6170000       1.922600    
 C   -1.403300      -2.518400       1.075700    
 C    3.416300     -0.1576000      1.5500000E-02
 C    4.430800     -0.2332000      -1.086800    
 C    3.739000     -0.4019000       1.294200    
 H   -1.108400      -2.506400      -1.011600    
 H    1.336500      -1.814600     -0.6744000    
 H    1.139300      -1.251100      0.9784000    
 H  -0.1299000       2.783500      0.5372000    
 H  -8.8999998E-03   2.164700      -1.073900    
 H    2.035600      0.3580000      -1.480400    
 H    2.218700       2.348300     -0.1324000    
 H    1.749800       1.519100       1.334800    
 H   -3.542400      -2.135200     -0.4720000    
 H   -2.851500      -1.129900      -1.728800    
 H   -3.514500     -0.2678000       1.124300    
 H   -4.238800      0.2782000     -0.3850000    
 H   9.7499996E-02  0.1688000       2.307400    
 H  -0.9101000       1.612500       2.375900    
 H   -1.661800      4.9300000E-02   2.325200    
 H  -0.3961000      -2.827700       1.367100    
 H   -1.843400      -1.949800       1.894100    
 H   -1.998700      -3.434400      0.9805000    
 H   0.1923000      0.4735000      -2.011300    
 H    4.135600     -0.9863000      -1.824800    
 H    4.518200      0.7350000      -1.590700    
 H    5.424200     -0.5047000     -0.7144000    
 H    4.754000     -0.6648000       1.574500    
 H    3.010300     -0.3475000       2.095500    


%chk=000178931-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178931

0 1
O -0.454514 -0.058443 -1.834052
O -2.650594 2.274044 -0.270930
C -0.386687 -0.479454 -0.395822
C -0.878221 0.742686 0.477574
C -1.339264 -1.717392 -0.424731
C 1.082729 -0.839561 -0.062021
C 0.084760 1.947379 0.254872
C 2.053843 0.366865 -0.261668
C 1.560993 1.591661 0.548186
C -2.765291 -1.269252 -0.852136
C -2.314603 1.094546 0.018491
C -3.307343 -0.064979 -0.030943
C -0.943942 0.446916 2.009200
C -1.359163 -2.626045 0.828307
C 3.507695 -0.036589 0.012076
C 4.075382 -1.120823 -0.893130
C 4.274764 0.534200 0.979849
H -0.935736 -2.331824 -1.256051
H 1.379557 -1.678611 -0.718392
H 1.169962 -1.191544 0.983329
H -0.239980 2.782366 0.901641
H -0.025174 2.344292 -0.775480
H 2.014601 0.634952 -1.343536
H 2.200169 2.466928 0.323164
H 1.683151 1.387099 1.629891
H -3.466216 -2.120692 -0.753982
H -2.736803 -0.977774 -1.915567
H -3.521326 -0.387946 1.008451
H -4.254081 0.308955 -0.457354
H 0.033500 0.120629 2.401889
H -1.229608 1.371622 2.543454
H -1.678985 -0.329937 2.265846
H -0.345461 -2.836437 1.212932
H -1.955686 -2.208024 1.657717
H -1.816503 -3.596358 0.560571
H 0.016337 0.805147 -1.943267
H 3.608828 -2.105086 -0.694831
H 3.885516 -0.887666 -1.959206
H 5.163857 -1.232606 -0.752472
H 5.316319 0.226560 1.131154
H 3.900717 1.320594 1.642380


