%chk=000020605.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020605

0 1
 O   0.4253000     -0.7169000     -0.9094000    
 O   0.1997000      -1.506000       1.272500    
 O   -3.630200       2.022200      -1.513800    
 O   -4.934200      -1.476900       1.485300    
 O   -5.608100      0.6853000     -0.1097000    
 N    4.674800       1.437000      0.8170000    
 C    3.572200       2.104000      0.1137000    
 C    2.365900       1.163400      2.6200000E-02
 C    5.167900      0.2963000      2.4800001E-02
 C    2.733600     -0.2165000     -0.4536000    
 C    4.070800     -0.6473000     -0.4120000    
 C    5.762100       2.376900       1.087500    
 C    1.734700      -1.097700     -0.8873000    
 C    4.392700      -1.942300     -0.8405000    
 C    6.867700       1.719400       1.895800    
 C    2.064500      -2.388000      -1.301000    
 C    3.392200      -2.809000      -1.279600    
 C  -0.2663000     -0.9759000      0.2750000    
 C   -1.680400     -0.5350000      0.1741000    
 C   -2.644600      -1.220100      0.8850000    
 C   -1.987100      0.5446000     -0.6286000    
 C   -3.316100      0.9572000     -0.7245000    
 C   -3.973500     -0.8075000      0.7889000    
 C   -4.309300      0.2811000     -1.5799999E-02
 C   -3.951400       1.747100      -2.875900    
 C   -5.220700      -1.013400       2.803300    
 C   -5.902300       2.018100      0.3024000    
 H    3.883800       2.416900     -0.8921000    
 H    3.259500       3.007400      0.6518000    
 H    1.906800       1.071100       1.018800    
 H    1.626600       1.613700     -0.6466000    
 H    5.862900     -0.2961000      0.6303000    
 H    5.696300      0.6402000     -0.8744000    
 H    5.373200       3.215400       1.678400    
 H    6.177200       2.798100      0.1632000    
 H    5.425400      -2.281800     -0.8346000    
 H    7.558700       2.486400       2.263200    
 H    7.462000       1.020300       1.299600    
 H    6.470700       1.191400       2.769600    
 H    1.290800      -3.071200      -1.641200    
 H    3.648900      -3.812600      -1.605900    
 H   -2.388600      -2.071500       1.509500    
 H   -1.224500       1.091000      -1.176200    
 H   -4.192500       2.692900      -3.368600    
 H   -3.096000       1.293800      -3.387000    
 H   -4.821800       1.086600      -2.941600    
 H   -4.333300      -1.094000       3.439100    
 H   -5.573700      2.2299999E-02   2.781000    
 H   -6.010000      -1.642600       3.223500    
 H   -5.925700       2.682600     -0.5657000    
 H   -6.898400       2.018000      0.7546000    
 H   -5.189900       2.388800       1.047800    


%chk=000020605-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000020605

0 1
O 0.540376 -0.541746 -1.029715
O 0.447618 -1.400533 1.151525
O -3.995255 1.242263 -2.118293
O -4.368715 -0.646484 2.482937
O -5.640719 0.727561 0.152714
N 4.931168 1.152055 1.114013
C 3.715808 1.926851 0.765779
C 2.539322 0.968786 0.515075
C 5.396923 0.349821 -0.037600
C 2.914340 -0.118641 -0.474655
C 4.277947 -0.417248 -0.734176
C 6.002281 2.002012 1.687853
C 1.934056 -0.861415 -1.176836
C 4.617397 -1.422170 -1.672971
C 7.163677 1.192817 2.294669
C 2.256147 -1.855877 -2.115855
C 3.617768 -2.138050 -2.363828
C -0.120573 -0.845191 0.186811
C -1.547506 -0.420113 0.135766
C -2.351003 -0.683077 1.266054
C -2.101793 0.222655 -1.000784
C -3.453869 0.594913 -0.979866
C -3.711685 -0.295438 1.301436
C -4.274843 0.368444 0.168460
C -4.959924 0.417713 -2.884332
C -5.678020 -0.080836 2.850161
C -5.908791 2.183930 0.043564
H 3.880749 2.574617 -0.134999
H 3.475944 2.594957 1.612889
H 2.248338 0.495288 1.471703
H 1.659075 1.531997 0.148897
H 6.156171 -0.372740 0.312737
H 5.905231 1.001882 -0.802062
H 5.538712 2.613229 2.485559
H 6.408614 2.718949 0.924286
H 5.674872 -1.644068 -1.862773
H 7.856565 1.868052 2.829319
H 7.751191 0.659847 1.526006
H 6.774389 0.449331 3.012352
H 1.453352 -2.390237 -2.632463
H 3.891924 -2.913473 -3.086738
H -1.921487 -1.182942 2.138889
H -1.498217 0.419437 -1.888608
H -5.285131 1.051046 -3.723651
H -4.460138 -0.490871 -3.269856
H -5.823484 0.135629 -2.255006
H -5.639393 1.024003 2.887557
H -6.465412 -0.398181 2.149232
H -5.866169 -0.480036 3.858885
H -5.411196 2.602644 -0.847603
H -7.002345 2.273757 -0.042281
H -5.555988 2.702082 0.956123


