%chk=000102316.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102316

0 1
 O    2.444900       1.320100      0.1920000    
 O   -6.749000       1.183600     -0.1890000    
 O   -7.145500      -1.027400      0.3137000    
 N    2.267500     -0.9128000     -0.1544000    
 C    6.065500      0.7141000      0.1025000    
 C    5.996600     -0.6681000     -0.1117000    
 C    3.707200      0.8048000      0.1135000    
 C    3.594600     -0.5614000     -9.8200001E-02
 C    4.909300       1.492900      0.2216000    
 C    4.763300      -1.327500     -0.2154000    
 C    1.643700      0.2312000      2.2000000E-02
 C    7.391400       1.398600      0.2101000    
 C    7.246200      -1.481000     -0.2350000    
 C   0.2336000      0.3691000      4.1000001E-02
 C   -2.155400     -0.5044000     -4.1999999E-02
 C  -0.6889000     -0.6447000     -8.1000000E-02
 C   -2.724900      0.7345000     -0.2863000    
 C   -2.935600      -1.614200      0.2392000    
 C   -4.912400     -0.2403000      3.3300001E-02
 C   -4.112900      0.8676000     -0.2482000    
 C   -4.323600      -1.481300      0.2771000    
 C   -6.359500     -0.1016000      7.2800003E-02
 C   -8.156000       1.448300     -0.1777000    
 H    4.936100       2.563200      0.3874000    
 H    4.702300      -2.398400     -0.3812000    
 H    7.279300       2.475700      0.3776000    
 H    7.964400       1.000000       1.053600    
 H    7.965800       1.274800     -0.7136000    
 H    7.845800      -1.140400      -1.085400    
 H    7.841100      -1.415500      0.6817000    
 H    7.026000      -2.541400     -0.4009000    
 H  -0.1189000       1.385200      0.1946000    
 H  -0.3248000      -1.663400     -0.2054000    
 H   -2.140500       1.616400     -0.5288000    
 H   -2.491700      -2.587100      0.4329000    
 H   -4.527500       1.851500     -0.4486000    
 H   -4.928100      -2.357000      0.4989000    
 H   -8.657900      0.8513000     -0.9447000    
 H   -8.305000       2.507800     -0.4018000    
 H   -8.571600       1.235100      0.8116000    


%chk=000102316-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102316

0 1
O 2.505479 1.376147 0.000842
O -6.985829 1.184737 -0.038201
O -7.259996 -1.130180 -0.053372
N 2.320131 -0.945361 -0.016937
C 6.206370 0.700846 0.010321
C 6.114835 -0.739669 -0.000634
C 3.806226 0.831645 0.001885
C 3.687857 -0.587163 -0.009065
C 5.034636 1.499149 0.011652
C 4.855038 -1.380156 -0.010300
C 1.649575 0.207910 -0.011196
C 7.565972 1.375465 0.020374
C 7.382258 -1.576760 -0.001593
C 0.231894 0.471615 -0.014768
C -2.162698 -0.367301 -0.029398
C -0.707096 -0.531042 -0.025023
C -2.812856 0.904758 -0.024623
C -2.979298 -1.537925 -0.039090
C -5.011935 -0.176354 -0.039000
C -4.212935 1.000115 -0.029329
C -4.380948 -1.447485 -0.043811
C -6.499579 -0.129361 -0.044429
C -8.460952 1.312191 -0.043050
H 5.096192 2.590863 0.019967
H 4.779534 -2.471476 -0.018435
H 7.468954 2.473937 0.030426
H 8.160242 1.080666 0.906679
H 8.165003 1.097431 -0.868212
H 8.012939 -1.362282 -0.885746
H 8.005956 -1.374798 0.890415
H 7.147310 -2.654121 -0.010101
H -0.044926 1.531259 -0.008612
H -0.330419 -1.563338 -0.030522
H -2.217621 1.823881 -0.017199
H -2.497503 -2.522722 -0.042845
H -4.706467 1.975712 -0.025658
H -5.008396 -2.344575 -0.051250
H -8.882747 0.839353 -0.945990
H -8.649592 2.394877 -0.036594
H -8.889709 0.827412 0.850223


