%chk=000026878.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026878

0 1
 O    2.766100      7.1900003E-02  -2.721800    
 O    2.185700       1.530300       1.279700    
 O    1.312500      -3.424200      0.5046000    
 O   -1.528500       1.034700     -0.3125000    
 O    2.150900       3.560200       2.365300    
 N    5.285200      7.3100001E-02  -1.214800    
 N    2.543400      -1.041600     -0.6200000    
 N   -2.857000      -1.049200      0.8021000    
 N    2.989700       1.679700       3.388800    
 C    4.051500      0.7500000     -0.8132000    
 C    2.723800      0.2609000      -1.307700    
 C    4.662600     -0.3165000      3.7599999E-02
 C    3.731400      -1.491300      9.8999999E-02
 C    1.419600       1.042900     -0.9300000    
 C    1.234100      -1.190400     -0.2258000    
 C   0.5343000     -7.2999999E-02 -0.4107000    
 C    1.595800       2.121300      0.1369000    
 C   0.6499000      -2.404900      0.3460000    
 C  -0.8918000      8.8999998E-03 -9.3800001E-02
 C    3.219100       1.241600      -3.385100    
 C  -0.8040000      -2.332100      0.7133000    
 C   -1.530700      -1.211400      0.5080000    
 C   -1.347800      -3.603000       1.310300    
 C    2.417600       2.363100       2.344400    
 C   -3.894000      -1.879200      0.2518000    
 C   -5.259000      -1.213800      0.4063000    
 C   -5.355300      0.1192000     -0.3443000    
 C   -6.756900      0.7222000     -0.2202000    
 C   -6.919100       2.041700     -0.9779000    
 C   -8.329000       2.608900     -0.9161000    
 H    4.156100       1.796500     -0.5839000    
 H    5.167300     -6.3199997E-02  0.9564000    
 H    6.086600      0.6769000      -1.034500    
 H    3.499400      -1.729700       1.142500    
 H    4.163800      -2.373600     -0.3834000    
 H   0.9460000       1.480500      -1.816600    
 H   0.6255000       2.554300      0.4082000    
 H    2.232000       2.928800     -0.2433000    
 H    2.772300       2.158800      -2.989400    
 H    4.309700       1.314700      -3.366300    
 H    2.926000       1.157400      -4.436200    
 H  -0.6017000      -4.097000       1.942400    
 H   -2.203700      -3.418900       1.965500    
 H   -1.644200      -4.299100      0.5197000    
 H   -3.112600     -9.5600002E-02   1.040000    
 H   -3.931800      -2.845700      0.7624000    
 H   -3.704700      -2.075900     -0.8108000    
 H   -6.028200      -1.899900      3.1300001E-02
 H   -5.469100      -1.047100       1.470300    
 H    3.192700      0.6880000       3.322100    
 H    3.228300       2.145300       4.257800    
 H   -4.631300      0.8443000      4.1099999E-02
 H   -5.119700     -4.0300000E-02  -1.403600    
 H   -6.990500      0.8858000      0.8392000    
 H   -7.492800      2.0000001E-03 -0.5989000    
 H   -6.219500       2.781700     -0.5715000    
 H   -6.647200       1.892100      -2.029600    
 H   -8.625000       2.805000      0.1193000    
 H   -8.385200       3.550100      -1.471700    
 H   -9.049900       1.910900      -1.353200    


%chk=000026878-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000026878

0 1
O 2.514461 0.697104 -2.598504
O 2.323070 1.408152 1.921890
O 1.071974 -3.261309 0.083939
O -1.407676 1.651636 0.564508
O 4.421911 2.488750 2.093839
N 5.159353 0.076234 -1.581721
N 2.352372 -0.795227 -0.785136
N -2.854381 -0.465170 1.029256
N 3.737249 0.814705 3.588663
C 4.145237 0.756854 -0.660757
C 2.686085 0.618917 -1.135317
C 4.660191 -0.637513 -0.336526
C 3.544849 -1.658708 -0.618830
C 1.544781 1.461914 -0.443558
C 1.090211 -0.880139 -0.271398
C 0.513710 0.382476 -0.132910
C 1.908032 2.293945 0.801682
C 0.411283 -2.154543 0.139739
C -0.809351 0.524081 0.352873
C 3.114984 1.887613 -3.208019
C -0.968963 -2.052970 0.592480
C -1.576334 -0.784462 0.666573
C -1.633576 -3.367672 0.971654
C 3.576616 1.650100 2.506712
C -4.008726 -1.306240 1.380514
C -5.323520 -0.519834 1.188405
C -5.629520 -0.154191 -0.281932
C -6.959150 0.615965 -0.443071
C -7.275262 0.983970 -1.910746
C -8.605403 1.752373 -2.065037
H 4.452047 1.623774 -0.070427
H 5.344119 -0.805560 0.500951
H 6.103572 0.479806 -1.416659
H 3.373663 -2.371451 0.202086
H 3.751145 -2.223242 -1.544304
H 1.156446 2.181640 -1.189347
H 1.002294 2.816971 1.151324
H 2.716389 3.020764 0.604932
H 2.722863 2.828373 -2.765478
H 4.216524 1.861898 -3.121772
H 2.827457 1.844165 -4.269871
H -0.845726 -4.132048 1.076622
H -2.187046 -3.305577 1.923943
H -2.328497 -3.731244 0.190445
H -2.982542 0.564543 1.059813
H -3.931578 -1.642636 2.435379
H -4.017044 -2.208452 0.745664
H -6.150128 -1.135677 1.594783
H -5.293111 0.402786 1.805645
H 2.985937 0.187994 3.868372
H 4.593526 0.877252 4.131709
H -4.801557 0.453442 -0.699274
H -5.666721 -1.083898 -0.887324
H -6.922801 1.544616 0.164639
H -7.791878 0.007423 -0.031307
H -6.444001 1.593631 -2.319364
H -7.309165 0.057517 -2.519712
H -8.585260 2.699405 -1.493046
H -8.808626 2.001533 -3.122685
H -9.456109 1.152537 -1.689506


