%chk=000036659.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036659

0 1
 O    2.222500      -4.122000      0.2945000    
 O    3.949300       1.067200     -0.4642000    
 O    4.646300       3.676400     -0.4698000    
 N  -0.7215000      0.3807000     -0.7611000    
 N    3.604700       3.204200      0.3403000    
 C    1.130000      0.7384000      0.4096000    
 C   3.2900002E-02   1.348300     -0.1537000    
 C  -0.1305000     -0.8524000     -0.6013000    
 C    1.039900     -0.6548000      0.1346000    
 C   -1.961900      0.6182000      -1.470600    
 C    2.207300       1.411100       1.165800    
 C    1.844200      -1.770200      0.4419000    
 C  -0.5382000      -2.114600      -1.047100    
 C  -0.3628000       2.773000     -0.1647000    
 C   -3.148600      0.5189000     -0.5507000    
 C    1.448800      -3.038900      2.4999999E-03
 C   0.2756000      -3.206100     -0.7304000    
 C    3.344000       1.859100      0.2560000    
 C   -3.599900       1.654400      0.1086000    
 C   -3.776700     -0.7065000     -0.3738000    
 C   -4.700000       1.562500      0.9612000    
 C   -4.876900     -0.7981000      0.4787000    
 C   -5.338500      0.3365000       1.146200    
 C    3.410300      -3.885400       1.047300    
 H   -2.041700     -0.1126000      -2.284500    
 H   -1.927400       1.587100      -1.976600    
 H    1.806400       2.263400       1.727200    
 H    2.639300      0.7378000       1.915900    
 H    2.745800      -1.583700       1.012200    
 H   -1.434000      -2.262400      -1.637800    
 H   -1.034700       2.991300      0.6699000    
 H   0.5165000       3.414000     -3.5300002E-02
 H  -0.8250000       3.095500      -1.099700    
 H  -1.5200000E-02  -4.197800      -1.069400    
 H   -3.140300       2.623700     -4.7600001E-02
 H   -3.447700      -1.596900     -0.8972000    
 H   -5.064600       2.447400       1.474600    
 H   -5.377400      -1.751700      0.6192000    
 H    3.047300       3.898700      0.8241000    
 H   -6.196900      0.2656000       1.807800    
 H    3.901100      -4.854000       1.188400    
 H    3.184400      -3.495000       2.045400    
 H    4.114300      -3.248900      0.5005000    
 H    5.381000       3.658000      0.1668000    


%chk=000036659-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036659

0 1
O 2.585334 -3.952312 -0.334996
O 4.326905 2.430753 1.784400
O 4.813576 2.160875 -0.804641
N -0.741109 0.537025 -0.654334
N 3.565160 1.723433 -0.243309
C 1.069696 0.810648 0.723844
C -0.078015 1.435172 0.207184
C -0.026361 -0.675531 -0.688159
C 1.118974 -0.528251 0.163551
C -1.996023 0.806172 -1.365450
C 2.061307 1.398195 1.696124
C 2.034380 -1.607595 0.315681
C -0.283856 -1.879299 -1.383523
C -0.610216 2.819207 0.444896
C -3.253341 0.735418 -0.493351
C 1.773077 -2.802818 -0.385335
C 0.624746 -2.938080 -1.225733
C 3.386353 1.884299 1.101958
C -4.378967 1.530781 -0.821580
C -3.328113 -0.140310 0.617661
C -5.566278 1.446436 -0.059812
C -4.513530 -0.222879 1.382347
C -5.637086 0.567308 1.045369
C 3.787427 -3.886543 0.495714
H -2.071471 0.070506 -2.188059
H -1.937569 1.800919 -1.846024
H 1.633121 2.260658 2.238537
H 2.328779 0.659477 2.476793
H 2.911716 -1.500252 0.960264
H -1.163255 -2.005707 -2.023825
H -1.648992 2.800032 0.824765
H 0.012080 3.347170 1.185067
H -0.607640 3.430129 -0.479246
H 0.476589 -3.892487 -1.739303
H -4.328537 2.220328 -1.674361
H -2.458249 -0.749837 0.887063
H -6.429278 2.068175 -0.323214
H -4.559990 -0.902868 2.240353
H 2.948529 1.267825 -0.914584
H -6.555116 0.502427 1.639791
H 4.269168 -4.869408 0.386754
H 3.534070 -3.712028 1.560333
H 4.476839 -3.092578 0.146460
H 5.266667 2.524815 0.027633


