%chk=000100176.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100176

0 1
 O  -0.8381000       2.095300       1.537700    
 O   -3.217400       2.378300       1.316700    
 O   -4.754000       1.177200     -0.7998000    
 O    5.277500       1.484200     -1.9099999E-02
 O    4.465100     -0.5001000       1.740500    
 O  -0.7271000      -4.488600      0.5067000    
 N  -0.4914000      -2.174000      0.5567000    
 C   0.5403000      -2.061100     -0.4570000    
 C  -4.5200001E-02  -2.113900      -1.886800    
 C  -0.5816000     -0.8106000      -2.494200    
 C   -1.316100      6.0100000E-02  -1.507500    
 C    1.433300     -0.8602000     -0.1307000    
 C  -0.6027000      0.6834000     -0.4586000    
 C   0.8681000      0.4825000     -0.3354000    
 C   -1.332400       1.441500      0.4478000    
 C   -2.712500      0.2345000      -1.616000    
 C   -2.694700       1.601700      0.3283000    
 C    2.643500      -1.118800      0.3984000    
 C   -3.411900       1.014800     -0.6929000    
 C    1.588900       1.603600     -0.5289000    
 C   -2.034300       2.690000       2.077100    
 C    3.710400     -0.1829000      0.8229000    
 C    3.017400       1.773500     -0.5653000    
 C   -1.032600      -3.383500      0.9470000    
 C    3.961800       1.052400      4.4399999E-02
 C   -2.063700      -3.217800       2.031100    
 C   -5.583600      0.2248000     -0.1312000    
 C    5.932900      0.9137000      -1.132100    
 H    1.135000      -2.981300     -0.3660000    
 H  -0.8510000      -2.859900      -1.911800    
 H   0.7293000      -2.492200      -2.567500    
 H   0.2441000     -0.2333000      -2.930600    
 H   -1.231000      -1.057900      -3.343600    
 H   -3.256000     -0.2492000      -2.425000    
 H  -0.8193000      -1.335800       1.026500    
 H    2.914200      -2.155800      0.5956000    
 H    1.068400       2.541700     -0.7295000    
 H   -1.906700       3.778400       2.098500    
 H   -2.172100       2.331800       3.103700    
 H    3.330900       2.670600      -1.099100    
 H   -2.791700      -2.452200       1.746600    
 H   -1.571300      -2.924700       2.962400    
 H   -2.591700      -4.162800       2.185200    
 H   -5.406500     -0.7804000     -0.5267000    
 H   -6.627700      0.4945000     -0.3113000    
 H   -5.396300      0.2439000      0.9470000    
 H    5.469300       1.227100      -2.074200    
 H    5.950200     -0.1801000      -1.068100    
 H    6.969000       1.265500      -1.135500    


%chk=000100176-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100176

0 1
O -1.125120 1.778875 1.569987
O -3.491819 1.995739 1.407992
O -5.064594 0.709679 -1.012735
O 5.070550 1.740738 -0.070673
O 5.052947 -1.110819 -0.101919
O 0.502616 -4.363122 1.242116
N -0.499193 -2.424294 0.419559
C 0.466220 -2.263837 -0.687663
C -0.205865 -2.348003 -2.092611
C -0.739452 -0.997761 -2.642226
C -1.517310 -0.206655 -1.606116
C 1.347546 -1.003144 -0.512739
C -0.791195 0.396667 -0.516099
C 0.697965 0.291669 -0.387753
C -1.580035 1.142919 0.378134
C -2.912883 -0.057713 -1.717778
C -2.981250 1.283214 0.275372
C 2.717351 -1.265302 -0.458846
C -3.691549 0.681191 -0.779906
C 1.379236 1.499788 -0.158686
C -2.282991 2.571170 2.044949
C 3.936153 -0.481860 -0.244952
C 2.760868 1.808174 -0.071511
C -0.396336 -3.471242 1.327480
C 3.902929 1.002077 -0.164559
C -1.443833 -3.478644 2.437263
C -5.912002 1.578705 -0.172649
C 6.409554 1.229802 -0.461273
H 1.116418 -3.150031 -0.582756
H -1.025697 -3.087159 -2.022379
H 0.535135 -2.748691 -2.810753
H 0.122417 -0.393586 -2.986236
H -1.369710 -1.192106 -3.528343
H -3.447489 -0.507628 -2.559913
H -1.237991 -1.729498 0.533099
H 2.996082 -2.326730 -0.528448
H 0.733822 2.381544 -0.066393
H -2.162035 3.622382 1.715147
H -2.367931 2.466806 3.135981
H 2.997277 2.871815 0.061924
H -2.179043 -2.659121 2.357093
H -0.930963 -3.403917 3.411893
H -1.977887 -4.444125 2.422298
H -5.864708 1.276199 0.886988
H -6.928767 1.439102 -0.567723
H -5.606435 2.635751 -0.267667
H 6.387071 0.821180 -1.485335
H 6.747580 0.448275 0.231575
H 7.043346 2.129428 -0.415812


