%chk=000050580.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050580

0 1
 O   0.6689000      -1.090700      7.7900000E-02
 O   -3.742700      0.3590000       1.003200    
 O  -0.3134000      -3.012000     -0.6796000    
 N    5.417800     -0.1267000      0.2084000    
 N   -1.570400      -1.230000      0.1716000    
 C    5.555200      0.8933000     -0.8407000    
 C    6.705500     -0.7769000      0.4892000    
 C    6.564900       1.968600     -0.4361000    
 C    7.752800      0.2437000      0.9371000    
 C    7.918000       1.356900     -9.1300003E-02
 C    4.415100      -1.120900     -0.1729000    
 C    3.012900     -0.6013000      0.1283000    
 C    1.946900      -1.624900     -0.2383000    
 C   -4.028900       3.913900     -0.1933000    
 C   -3.463000       2.693600      0.5297000    
 C   -3.129000       5.135700     -9.9999998E-03
 C   -4.331500       1.461700      0.3174000    
 C  -0.4143000      -1.892600     -0.1925000    
 C   -2.904400      -1.685600      6.7199998E-02
 C   -3.965300     -0.8821000      0.4853000    
 C   -3.671400       6.344000     -0.7566000    
 C   -3.154700      -2.952500     -0.4600000    
 C   -5.276400      -1.345700      0.3761000    
 C   -4.465900      -3.415900     -0.5691000    
 C   -5.526600      -2.612600     -0.1511000    
 H    4.599600       1.395200      -1.025800    
 H    5.870700      0.4384000      -1.789300    
 H    7.070000      -1.317500     -0.3942000    
 H    6.586300      -1.510900       1.295600    
 H    6.683800       2.690900      -1.251700    
 H    6.183100       2.524000      0.4300000    
 H    7.454900      0.6774000       1.900300    
 H    8.714000     -0.2578000       1.096200    
 H    8.592800       2.128800      0.2946000    
 H    8.378400      0.9504000      -1.000100    
 H    4.512700      -1.416400      -1.225500    
 H    4.550400      -2.036100      0.4189000    
 H    2.799400      0.3261000     -0.4158000    
 H    2.919300     -0.3495000       1.192900    
 H    1.994300      -1.847300      -1.310900    
 H    2.104500      -2.550400      0.3280000    
 H   -4.130300       3.692000      -1.262700    
 H   -5.033400       4.134900      0.1873000    
 H   -2.445400       2.482200      0.1778000    
 H   -3.372700       2.895900       1.604200    
 H   -3.043200       5.378100       1.055600    
 H   -2.119400       4.913200     -0.3746000    
 H   -4.414800       1.251100     -0.7567000    
 H   -5.335900       1.633400      0.7209000    
 H   -1.454000     -0.2984000      0.5631000    
 H   -3.736900       6.144700      -1.830900    
 H   -4.669100       6.612800     -0.3952000    
 H   -3.013400       7.206500     -0.6107000    
 H   -2.389900      -3.633500     -0.8050000    
 H   -6.113000     -0.7355000      0.7054000    
 H   -4.662200      -4.402500     -0.9789000    
 H   -6.547300      -2.974500     -0.2342000    


%chk=000050580-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050580

0 1
O 0.798443 -1.186418 -0.069721
O -3.318311 0.526350 -0.118382
O -0.188698 -3.327149 -0.119657
N 5.647724 -0.265241 0.272403
N -1.455519 -1.321428 -0.113696
C 5.798348 0.677919 -0.867151
C 6.950866 -0.889546 0.626650
C 6.816324 1.790159 -0.544147
C 8.000726 0.176555 0.999801
C 8.184367 1.187936 -0.153606
C 4.604463 -1.292572 0.033202
C 3.170658 -0.717682 0.049381
C 2.133755 -1.838105 -0.045815
C -4.440009 4.175231 -0.082365
C -3.508114 2.941140 -0.085436
C -3.660840 5.510329 -0.056751
C -4.295823 1.629942 -0.111249
C -0.297571 -2.073864 -0.103475
C -2.788849 -1.797257 -0.138945
C -3.809039 -0.795734 -0.140448
C -4.588622 6.743954 -0.053377
C -3.157658 -3.161971 -0.160106
C -5.170571 -1.155907 -0.162037
C -4.526284 -3.518417 -0.181867
C -5.528712 -2.525960 -0.182790
H 4.815454 1.129862 -1.088954
H 6.130455 0.132506 -1.792657
H 7.346821 -1.509146 -0.223421
H 6.784914 -1.572947 1.480879
H 6.917869 2.457992 -1.421342
H 6.426160 2.396169 0.296326
H 7.658483 0.709260 1.908102
H 8.959312 -0.321501 1.242210
H 8.892952 1.986347 0.137444
H 8.622706 0.669100 -1.031551
H 4.776909 -1.838940 -0.932861
H 4.692486 -2.044904 0.842184
H 3.013316 -0.020116 -0.793564
H 3.024820 -0.147079 0.984017
H 2.251979 -2.439648 -0.967193
H 2.178812 -2.524898 0.820194
H -5.093170 4.153234 -0.979718
H -5.115338 4.132319 0.797674
H -2.839283 2.976142 -0.966990
H -2.860809 2.955353 0.812558
H -3.007580 5.532819 0.838945
H -2.985895 5.554162 -0.935449
H -4.929474 1.563532 -1.020018
H -4.945807 1.536650 0.783490
H -1.349158 -0.302701 -0.095994
H -5.230311 6.760612 -0.954521
H -5.253054 6.738615 0.831279
H -4.009072 7.684868 -0.034328
H -2.372214 -3.920636 -0.158495
H -5.950311 -0.388798 -0.162913
H -4.802580 -4.577913 -0.197831
H -6.587043 -2.806878 -0.199416


