%chk=000064700.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064700

0 1
 O  -0.5098000      0.1748000      0.9389000    
 O   0.5520000     -0.5531000     -0.9643000    
 O    1.670600       2.368000      -1.094600    
 N   -4.366800      0.6830000     -0.1603000    
 C   -3.589600      6.0699999E-02  -1.248600    
 C   -4.249900     -0.3055000      0.9287000    
 C   -3.991400      -1.417800      -1.209700    
 C   -4.430100      -1.661100      0.2365000    
 C   -2.104100      0.2623000     -0.8896000    
 C   -2.832400     -0.1415000       1.511700    
 C   -1.735300     -0.3675000      0.4619000    
 C   -5.753100      0.9497000     -0.5358000    
 C   0.5777000      1.5000000E-02  0.1224000    
 C    1.826800      0.7090000      0.7060000    
 C    1.701100       2.205100      0.3199000    
 C    3.107700      1.1800000E-02  0.2084000    
 C    1.837800      0.6248000       2.250700    
 C    3.282100      -1.314400      0.5088000    
 C    4.010500      0.7513000     -0.5109000    
 C    4.441400      -1.945700      5.8200002E-02
 C    5.169800      0.1198000     -0.9615000    
 C    5.385100      -1.228700     -0.6769000    
 H   -3.786300      0.5164000      -2.225700    
 H   -4.984100     -0.1487000       1.726900    
 H   -3.177100      -2.086700      -1.506900    
 H   -4.835300      -1.606900      -1.883700    
 H   -5.483300      -1.966000      0.2517000    
 H   -3.849900      -2.459600      0.7103000    
 H   -1.519800     -0.1671000      -1.708700    
 H   -1.868400       1.335500     -0.8788000    
 H   -2.725800      0.8619000       1.946500    
 H   -2.682100     -0.8395000       2.345000    
 H   -1.599300      -1.450100      0.3383000    
 H   -5.786400       1.678500      -1.353200    
 H   -6.289800       1.399100      0.3069000    
 H   -6.306700      6.0100000E-02 -0.8533000    
 H    2.530800       2.799800      0.7189000    
 H   0.7772000       2.642300      0.7178000    
 H    1.028700       1.221000       2.690100    
 H    1.698700     -0.4000000       2.613800    
 H    2.779500       1.004800       2.664900    
 H    2.553200      -1.890100       1.069500    
 H    3.920200       1.804600     -0.7364000    
 H   0.8375000       1.989500      -1.422100    
 H    4.608200      -2.996200      0.2777000    
 H    5.909100      0.6790000      -1.527700    
 H    6.288400      -1.719900      -1.026700    


%chk=000064700-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000064700

0 1
O -0.298056 0.531690 0.370091
O 0.355990 1.022410 -1.799301
O 2.894598 1.938179 -2.260836
N -4.354281 -0.250959 0.830756
C -4.064964 0.551972 -0.402667
C -3.531924 -1.479128 0.581296
C -4.156324 -0.475562 -1.591708
C -3.791706 -1.848228 -0.928049
C -2.636866 1.139303 -0.246978
C -2.048738 -1.104174 0.842782
C -1.611396 -0.006571 -0.141076
C -5.794580 -0.527647 1.043126
C 0.611597 0.990000 -0.562233
C 1.952766 1.429048 0.067610
C 2.641917 2.434350 -0.913282
C 2.796231 0.150938 0.337059
C 1.708055 2.197918 1.398901
C 2.366875 -0.781408 1.320378
C 4.008169 -0.106736 -0.355311
C 3.136131 -1.925656 1.621037
C 4.780046 -1.251380 -0.048774
C 4.352094 -2.164527 0.940011
H -4.793052 1.375901 -0.497733
H -3.835056 -2.284528 1.272255
H -3.472452 -0.209523 -2.417155
H -5.178837 -0.495660 -2.008172
H -4.627041 -2.565278 -1.013306
H -2.907853 -2.320746 -1.392672
H -2.384974 1.791633 -1.102790
H -2.610473 1.740341 0.679766
H -1.963816 -0.726178 1.877114
H -1.395237 -1.990087 0.737614
H -1.410127 -0.424080 -1.144326
H -6.327102 0.428313 1.192423
H -5.914899 -1.126657 1.963261
H -6.295923 -1.074506 0.208727
H 3.631662 2.701640 -0.503125
H 2.021957 3.356619 -0.948106
H 1.102206 3.106411 1.224539
H 1.177138 1.576394 2.134830
H 2.678834 2.500126 1.830512
H 1.422238 -0.617523 1.849979
H 4.331940 0.567377 -1.152658
H 2.019649 1.600161 -2.603254
H 2.786994 -2.628722 2.386033
H 5.713682 -1.431874 -0.593845
H 4.952209 -3.051690 1.172261


