%chk=000018256.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018256

0 1
 O  -0.8863000       1.365000     -0.3210000    
 O   0.7721000      0.5965000       1.630700    
 O    1.083700       2.253100      -1.107500    
 N   -3.533800      7.7000000E-03  6.9300003E-02
 C   -3.103400       2.171800     -0.7336000    
 C   -3.420200       2.232900      0.7674000    
 C   -3.581400      0.7850000      -1.170400    
 C   -4.079900      0.8993000       1.091700    
 C   -1.613200       2.378800     -0.9947000    
 C   -4.274200      -1.241600     -2.9899999E-02
 C   -4.218000      -2.018100       1.274700    
 C    1.141000      0.2397000      0.2829000    
 C   0.4823000       1.408100     -0.4550000    
 C    2.664800      0.1961000      0.1450000    
 C   0.5215000      -1.111900     -7.9300001E-02
 C    3.226000      0.5291000      -1.066200    
 C   0.3489000      -2.045400      0.9167000    
 C    3.414500     -0.1740000       1.237600    
 C   0.1601000      -1.341900      -1.386900    
 C    1.288200       1.867700       1.971200    
 C    4.614600      0.4897000      -1.191900    
 C  -0.2159000      -3.277400      0.5868000    
 C    4.803200     -0.2134000       1.111800    
 C  -0.4049000      -2.573800      -1.716700    
 C    5.403100      0.1185000     -0.1030000    
 C  -0.5928000      -3.541500     -0.7297000    
 H   -3.663300       2.947000      -1.270100    
 H   -4.099600       3.063000      0.9907000    
 H   -2.520100       2.378000       1.376200    
 H   -2.956600      0.3457000      -1.955100    
 H   -4.608200      0.8595000      -1.552700    
 H   -3.825200      0.5862000       2.109100    
 H   -5.170600      0.9948000       1.013400    
 H   -1.302400       3.364000     -0.6272000    
 H   -1.412500       2.321800      -2.071200    
 H   -3.826000      -1.861100     -0.8161000    
 H   -5.322300      -1.074300     -0.3083000    
 H   -4.648000      -3.015200       1.130700    
 H   -4.790600      -1.531600       2.070500    
 H   -3.186400      -2.150200       1.618400    
 H    2.646500      0.7601000      -1.952700    
 H   0.6427000      -1.864200       1.945500    
 H    2.971100     -0.4564000       2.187000    
 H   0.3080000     -0.6076000      -2.172100    
 H    1.488400       1.858500       3.048000    
 H   0.5173000       2.631200       1.815900    
 H    2.208100       2.191900       1.476400    
 H    5.081500      0.7333000      -2.141800    
 H  -0.3613000      -4.031400       1.354800    
 H    5.417300     -0.5077000       1.957900    
 H  -0.6970000      -2.780300      -2.742100    
 H    6.484100      8.3400004E-02 -0.2023000    
 H   -1.032900      -4.500600     -0.9865000    


%chk=000018256-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018256

0 1
O -0.758167 0.981922 -1.251389
O 0.658966 0.244778 1.509633
O 0.673262 2.616275 -0.415308
N -3.772556 0.021662 0.545864
C -3.040768 1.857486 -0.873615
C -2.889374 2.202112 0.639687
C -3.644280 0.413818 -0.887491
C -3.918669 1.278457 1.320736
C -1.748805 2.008105 -1.691048
C -4.778073 -1.030137 0.790913
C -4.742817 -1.566362 2.233561
C 1.133142 0.215121 0.081040
C 0.371467 1.406257 -0.571875
C 2.659977 0.357994 0.017690
C 0.660011 -1.149387 -0.452222
C 3.335838 1.264879 -0.831932
C -0.542259 -1.720988 0.034776
C 3.423830 -0.509577 0.843206
C 1.391707 -1.827789 -1.456653
C 1.116687 1.376539 2.337330
C 4.750336 1.299967 -0.859660
C -0.989275 -2.962898 -0.463916
C 4.832319 -0.467727 0.823879
C 0.935622 -3.066664 -1.962495
C 5.503507 0.438160 -0.032556
C -0.254688 -3.642197 -1.464478
H -3.769920 2.557200 -1.330661
H -3.064175 3.271612 0.849456
H -1.879049 1.935585 0.994885
H -2.991435 -0.307139 -1.411943
H -4.637722 0.422864 -1.400867
H -3.699710 1.114176 2.389733
H -4.951769 1.710772 1.241631
H -1.300420 3.011167 -1.572847
H -1.918657 1.791199 -2.759607
H -4.565465 -1.860776 0.089794
H -5.814404 -0.668265 0.551133
H -5.446263 -2.411361 2.347605
H -5.029908 -0.790937 2.966526
H -3.726221 -1.917904 2.484962
H 2.769061 1.956990 -1.460992
H -1.130202 -1.187036 0.786364
H 2.898361 -1.213268 1.498768
H 2.321623 -1.396328 -1.842140
H 0.680677 1.179271 3.329681
H 0.755593 2.344698 1.943998
H 2.219771 1.404207 2.408067
H 5.260362 2.007049 -1.523544
H -1.917619 -3.397229 -0.074267
H 5.406190 -1.141792 1.469721
H 1.512933 -3.581203 -2.739162
H 6.598695 0.470822 -0.052895
H -0.605267 -4.606382 -1.850773


