%chk=000040650.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040650

0 1
 O   -5.589600      0.3580000      0.5309000    
 O   0.4630000     -0.5893000     -0.3744000    
 O  -0.3466000      -3.249300     -0.3845000    
 O    3.597500      -1.603500     -0.9792000    
 O    3.129100      -1.892900       1.255900    
 N   -3.058300     -0.7291000     -0.1843000    
 C   -2.210400      -1.781100     -0.7414000    
 C   -3.989400     -0.2174000      -1.199400    
 C   -3.805200      -1.223100      0.9808000    
 C   -1.149400      -2.253300      0.2556000    
 C   -4.870800      0.8702000     -0.5917000    
 C   -4.691800     -0.1125000       1.536800    
 C  -0.2352000      -1.131100      0.7424000    
 C   0.8555000       1.756500     -0.1707000    
 C  -0.5709000       2.052200     -0.4992000    
 C    1.322600      0.4456000     -0.1196000    
 C    2.655700      0.1857000      0.1880000    
 C    1.727200       2.814300      8.7600000E-02
 C    3.527400       1.243600      0.4465000    
 C   -1.304900       2.759100      0.6550000    
 C  -0.7170000       2.872900      -1.793700    
 C    3.063100       2.557900      0.3964000    
 C    4.963300       1.000000      0.7801000    
 C    3.137500      -1.190600      0.2395000    
 C    4.097600      -2.942600      -1.057600    
 H   -2.805900      -2.643800      -1.071000    
 H   -1.707800      -1.414300      -1.646500    
 H   -3.435600      0.2071000      -2.044600    
 H   -4.622100      -1.029900      -1.579700    
 H   -4.427800      -2.082500      0.7003000    
 H   -3.142100      -1.529900       1.794400    
 H   -1.604000      -2.754300       1.114600    
 H   -4.286400       1.744200     -0.2844000    
 H   -5.605300       1.208300      -1.329700    
 H   -5.294100     -0.4956000       2.366700    
 H   -4.097200      0.7270000       1.918000    
 H  -0.8010000     -0.3527000       1.265200    
 H   0.4931000      -1.550000       1.445900    
 H   -1.116900       1.125600     -0.6890000    
 H    1.389500       3.846400      5.4000001E-02
 H   0.1276000      -2.821400      -1.118100    
 H   -1.252200       2.163600       1.573000    
 H   -2.361200       2.905300      0.4096000    
 H  -0.8784000       3.744700      0.8704000    
 H  -0.2164000       2.372600      -2.630200    
 H   -1.774300       2.989000      -2.056500    
 H  -0.2871000       3.875500      -1.695700    
 H    3.728500       3.394100      0.5948000    
 H    5.501700       1.934800      0.9710000    
 H    5.470200      0.4966000     -4.9699999E-02
 H    5.049400      0.3869000       1.683300    
 H    4.427700      -3.123400      -2.083800    
 H    4.951900      -3.066000     -0.3852000    
 H    3.305100      -3.655400     -0.8110000    


%chk=000040650-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040650

0 1
O -5.843846 -0.190732 0.710712
O 0.428216 -0.290768 -0.456691
O 0.044531 -2.988217 -0.560396
O 2.814570 -1.869516 -0.828178
O 3.730629 -1.593153 1.290053
N -3.175270 -1.052921 -0.047652
C -2.110939 -1.798240 -0.761928
C -3.984076 -0.176904 -0.935258
C -4.069510 -1.928833 0.754641
C -0.925031 -2.161086 0.168352
C -4.952428 0.666020 -0.089734
C -5.042201 -1.069280 1.578213
C -0.228430 -0.914944 0.728031
C 1.001541 2.068451 -0.303921
C -0.426549 2.455526 -0.692792
C 1.394181 0.709405 -0.184286
C 2.723224 0.334013 0.166902
C 1.991499 3.050346 -0.061292
C 3.698884 1.342340 0.435332
C -1.112717 3.304244 0.410157
C -0.451438 3.193707 -2.058056
C 3.305460 2.695991 0.303902
C 5.125982 1.004233 0.828651
C 3.125623 -1.105935 0.303463
C 3.219305 -3.303780 -0.761391
H -2.482687 -2.741291 -1.226559
H -1.719548 -1.160038 -1.575258
H -3.303631 0.493028 -1.494488
H -4.572508 -0.771665 -1.677856
H -4.654164 -2.619183 0.096086
H -3.465675 -2.550472 1.441467
H -1.274918 -2.784175 1.011523
H -4.370452 1.333773 0.583247
H -5.619765 1.269421 -0.727147
H -5.772203 -1.696544 2.116024
H -4.469101 -0.454169 2.305726
H -0.967420 -0.216142 1.162833
H 0.541527 -1.188834 1.474600
H -0.999744 1.517656 -0.808750
H 1.728443 4.110888 -0.152352
H 0.655446 -2.354950 -1.032952
H -1.123333 2.772442 1.378923
H -2.158708 3.527892 0.127934
H -0.592520 4.268764 0.560040
H -0.000363 2.574298 -2.853710
H -1.491813 3.430617 -2.349760
H 0.109024 4.146261 -2.010811
H 4.047143 3.480844 0.489796
H 5.734684 1.921129 0.899351
H 5.606574 0.330957 0.094849
H 5.156815 0.480732 1.799772
H 3.139641 -3.660508 -1.797939
H 4.248706 -3.392073 -0.379129
H 2.518247 -3.845924 -0.106394


