%chk=000125584.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125584

0 1
 O    6.069200     -5.4299999E-02  0.2714000    
 O   -4.741900      -2.186100      0.6559000    
 O   -4.417100      -1.234700      -1.378500    
 O   -3.234500       1.296500       1.412000    
 N    2.799300      -1.714200     -0.2488000    
 N   -2.244600      5.7200000E-02 -0.2827000    
 N    3.356200       3.349500      2.1600001E-02
 N   -2.023000       4.906000     -0.4591000    
 C  -0.1620000      -2.096600      0.2389000    
 C   0.8010000      -3.177900     -0.2626000    
 C   -1.613900      -2.328300     -0.1986000    
 C    2.236600      -2.972400      0.2265000    
 C   -2.594000      -1.238700      0.2393000    
 C    4.160400      -1.537200      0.2375000    
 C    4.744800     -0.2030000     -0.2372000    
 C    3.898000      0.9705000      0.2752000    
 C    4.165900       2.258100     -0.5086000    
 C   -3.985800      -1.549000     -0.2767000    
 C   -2.601900       1.235000      0.3612000    
 C   -2.113400       2.459700     -0.3920000    
 C   -2.499500       3.759900      0.3051000    
 H   0.1712000      -1.118600     -0.1269000    
 H  -0.1240000      -2.055400       1.334600    
 H   0.4517000      -4.159000      8.1799999E-02
 H   0.7837000      -3.204200      -1.359400    
 H   -1.954700      -3.295800      0.1922000    
 H   -1.637900      -2.419700      -1.293200    
 H    2.242600      -2.997800       1.323000    
 H    2.845800      -3.813200     -0.1268000    
 H   -2.627100      -1.173200       1.333300    
 H    4.808600      -2.351200     -0.1116000    
 H    4.187600      -1.569300       1.334500    
 H    4.798800     -0.1992000      -1.332700    
 H    2.788900      -1.693300      -1.268000    
 H    2.827000      0.7520000      0.1930000    
 H    4.113800       1.142800       1.338000    
 H   -1.778600      0.1074000      -1.184500    
 H    3.928800       2.112100      -1.568100    
 H    5.221200       2.539100     -0.4377000    
 H    6.458100      0.7369000     -0.1375000    
 H   -2.540800       2.430500      -1.402000    
 H   -1.022500       2.388100     -0.4856000    
 H    3.505800       4.185400     -0.5420000    
 H    2.367400       3.118600     -6.7500003E-02
 H   -3.588300       3.825100      0.4084000    
 H   -2.073800       3.791200       1.314500    
 H   -5.649100      -2.366700      0.3292000    
 H   -2.242900       5.763800      4.5400001E-02
 H   -1.007100       4.870800     -0.5336000    


%chk=000125584-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125584

0 1
O 5.296246 0.963512 0.490283
O -4.595883 -2.782269 -1.018717
O -4.067250 -1.013470 -2.428370
O -2.430487 0.572894 1.747534
N 2.584596 -1.567006 0.200778
N -2.340371 0.052605 -0.516680
N 2.092443 3.309008 -1.696257
N 0.212132 3.926968 0.710844
C -0.469606 -2.031214 0.514532
C 0.643138 -3.102432 0.498402
C -1.656321 -2.381721 -0.406259
C 1.966264 -2.573374 1.097769
C -2.807694 -1.320564 -0.319658
C 3.686740 -0.775134 0.789056
C 4.095749 0.379207 -0.146872
C 2.970824 1.410702 -0.344550
C 3.300980 2.506310 -1.380604
C -3.870849 -1.639779 -1.361751
C -2.176139 0.927239 0.553002
C -1.618838 2.303749 0.204883
C -0.407878 2.659154 1.118378
H -0.024533 -1.071202 0.194473
H -0.833964 -1.882366 1.549714
H 0.321271 -4.000483 1.062768
H 0.831221 -3.439763 -0.543787
H -2.085100 -3.366583 -0.138880
H -1.301220 -2.453230 -1.455411
H 1.755598 -2.077265 2.065475
H 2.649788 -3.429280 1.319650
H -3.247103 -1.365657 0.694347
H 4.603106 -1.369524 1.015820
H 3.334652 -0.344757 1.745478
H 4.376745 -0.042250 -1.142823
H 2.868931 -2.001808 -0.689888
H 2.072476 0.847467 -0.668481
H 2.727760 1.883498 0.625434
H -2.237407 0.388047 -1.476966
H 3.755589 2.027712 -2.282875
H 4.056824 3.205794 -0.970038
H 5.584073 1.757522 -0.026026
H -2.397302 3.073052 0.359182
H -1.310228 2.358193 -0.857135
H 2.291248 4.164444 -2.228664
H 1.363202 2.754208 -2.162274
H -0.782014 2.731980 2.154310
H 0.301706 1.798698 1.103689
H -5.254984 -2.986302 -1.736729
H 0.514626 4.524741 1.482299
H 0.911243 3.837929 -0.047809


