%chk=000091459.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091459

0 1
 O  -0.8164000      -1.402800     -0.2175000    
 O   0.3076000       1.357200     -0.1353000    
 O    3.823500       1.008500     -0.7347000    
 O   3.8300000E-02  -1.760600       1.896900    
 O    1.534300       1.122500      -2.069900    
 N   -4.003000      0.1273000      0.7768000    
 C   -2.503700      0.1474000      0.7984000    
 C   -2.097300       1.436800      3.5900000E-02
 C   -2.132600      -1.252300      0.3024000    
 C   -3.373500       1.888700     -0.6636000    
 C   -4.442700       1.448200      0.3117000    
 C   -4.426200     -0.9458000     -0.1491000    
 C   -3.166100      -1.518500     -0.7696000    
 C  -0.9020000       1.429300     -0.9081000    
 C    2.681100       1.294700      7.2499998E-02
 C   0.1692000      -1.656000      0.6852000    
 C    2.627300      0.2664000       1.244000    
 C    1.464200       1.231000     -0.8511000    
 C    2.682800      -1.221500      0.7913000    
 C    1.491600      -1.706000      7.4000000E-03
 C    2.802500       2.747600      0.5554000    
 C    3.782500      0.4807000       2.241000    
 C    1.590500      -2.214900      -1.229500    
 C    2.868100      -2.307700      -1.990300    
 H   -2.156900      0.2508000       1.834500    
 H   -1.882800       2.186300      0.8144000    
 H   -2.295100      -1.984700       1.107500    
 H   -3.494900       1.394800      -1.634600    
 H   -3.390700       2.971000     -0.8267000    
 H   -4.471200       2.130400       1.170500    
 H   -5.446100       1.449000     -0.1271000    
 H   -5.139200     -0.6281000     -0.9181000    
 H   -4.924600      -1.719500      0.4471000    
 H   -3.256400      -2.585300     -0.9975000    
 H   -2.906500      -1.006700      -1.703500    
 H  -0.9575000      0.6089000      -1.630600    
 H  -0.8763000       2.371400      -1.469800    
 H    1.698600      0.4249000       1.807600    
 H    2.740000      -1.853400       1.689600    
 H    3.631000      -1.405200      0.2759000    
 H    3.791900       2.950400      0.9790000    
 H    2.684900       3.448300     -0.2804000    
 H    2.037600       2.990500       1.300400    
 H    4.757400      0.4084000       1.747400    
 H    3.713700       1.457900       2.728500    
 H    3.753100     -0.2695000       3.039000    
 H   0.7123000      -2.602900      -1.739400    
 H    3.913500       1.714900      -1.397000    
 H    3.422200      -3.207100      -1.705900    
 H    3.504800      -1.428100      -1.872200    
 H    2.644400      -2.381300      -3.060400    


%chk=000091459-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091459

0 1
O -0.863025 -1.479352 -0.237618
O 0.339442 1.286371 -0.117991
O 3.948307 0.943834 -0.675674
O 0.013423 -1.469005 1.924996
O 1.635615 1.216678 -2.051791
N -4.091274 0.126482 0.726976
C -2.578835 0.129048 0.809159
C -2.096609 1.414830 0.002289
C -2.214180 -1.315971 0.333453
C -3.375889 1.914789 -0.729586
C -4.502367 1.468721 0.236318
C -4.542855 -1.045790 -0.104378
C -3.265725 -1.660327 -0.729795
C -0.906683 1.330319 -0.955574
C 2.770538 1.289554 0.136496
C 0.202981 -1.527459 0.684105
C 2.703976 0.301574 1.344808
C 1.537710 1.218699 -0.795830
C 2.702068 -1.195009 0.899479
C 1.536608 -1.606702 0.019038
C 2.882388 2.772270 0.590083
C 3.889563 0.524496 2.313441
C 1.623330 -2.048981 -1.274345
C 2.862142 -2.173991 -2.118844
H -2.249354 0.240855 1.855181
H -1.829332 2.174470 0.764066
H -2.297079 -1.984043 1.211337
H -3.492951 1.412012 -1.710389
H -3.354917 3.005759 -0.903785
H -4.566038 2.171556 1.090640
H -5.500243 1.419820 -0.231855
H -5.271492 -0.724861 -0.872565
H -5.046680 -1.789463 0.543135
H -3.348019 -2.745316 -0.907450
H -3.005421 -1.167736 -1.685094
H -0.915512 0.441134 -1.606330
H -0.845466 2.237826 -1.584856
H 1.758331 0.506088 1.881624
H 2.667265 -1.797524 1.827343
H 3.659556 -1.401670 0.394897
H 3.877541 2.935222 1.032656
H 2.782348 3.452097 -0.275459
H 2.104606 3.024921 1.331789
H 4.851255 0.441974 1.776182
H 3.848615 1.511668 2.805317
H 3.869871 -0.240957 3.110393
H 0.682954 -2.323452 -1.771762
H 3.696948 1.086653 -1.630160
H 2.962841 -3.204290 -2.512257
H 3.785328 -1.904445 -1.583725
H 2.771596 -1.507075 -2.999689


