%chk=000050606.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050606

0 1
 O    4.633900      -1.866700     -0.4741000    
 N   -2.456700     -0.8519000      0.5302000    
 C    1.265400     -0.7023000      8.3999999E-02
 C    1.485900      0.6936000      0.2221000    
 C  -4.8999999E-02  -1.232400      0.1849000    
 C    2.319800      -1.604500     -0.1545000    
 C    2.867000       1.230000      0.1128000    
 C    3.947600      0.3576000     -0.1256000    
 C   -1.127600     -0.3749000      0.4211000    
 C    3.704500      -1.096300     -0.2672000    
 C   0.3677000       1.516500      0.4594000    
 C  -0.9200000      0.9907000      0.5576000    
 C  -0.2648000      -2.612600      4.7899999E-02
 C    2.091000      -2.979900     -0.2891000    
 C    3.175900       2.598900      0.2353000    
 C   0.7984000      -3.479900     -0.1875000    
 C    5.265700      0.8281000     -0.2352000    
 C    4.488800       3.071300      0.1259000    
 C   -3.699700     -0.2724000      0.2276000    
 C    5.532600       2.186600     -0.1090000    
 C   -4.839400     -0.6340000      0.9518000    
 C   -3.805100      0.6700000     -0.7995000    
 C   -6.174000      0.8813000     -0.3743000    
 C   -6.073900     -5.8400001E-02  0.6514000    
 C   -5.039700       1.245700      -1.099700    
 C   -7.494200       1.496000     -0.6961000    
 H   0.4659000       2.591200      0.5816000    
 H   -1.734300       1.678000      0.7707000    
 H   -1.255000      -3.056500      0.1070000    
 H    2.906000      -3.674300     -0.4738000    
 H    2.406100       3.342900      0.4192000    
 H   0.6176000      -4.545500     -0.2941000    
 H   -2.534000      -1.732300       1.030200    
 H    6.094800      0.1501000     -0.4191000    
 H    4.690100       4.134200      0.2256000    
 H    6.551000       2.553200     -0.1936000    
 H   -4.775700      -1.364800       1.754200    
 H   -2.944800      0.9549000      -1.399200    
 H   -6.950800     -0.3516000       1.222600    
 H   -5.106700       1.971300      -1.906100    
 H   -8.126300       1.564300      0.1957000    
 H   -7.372600       2.514300      -1.080800    
 H   -8.014100      0.8962000      -1.449600    


%chk=000050606-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050606

0 1
O 4.799553 -1.972056 -0.133458
N -2.461004 -0.870166 0.353149
C 1.303926 -0.722279 0.040603
C 1.535004 0.699012 0.097852
C -0.044658 -1.254484 0.063582
C 2.406325 -1.644009 -0.053907
C 2.914996 1.220226 0.067211
C 4.023920 0.314695 -0.005911
C -1.169187 -0.341975 0.207906
C 3.816635 -1.155839 -0.067516
C 0.406670 1.541135 0.191065
C -0.913859 1.044185 0.249526
C -0.231533 -2.665491 -0.066862
C 2.178136 -3.029340 -0.142426
C 3.205889 2.616263 0.110652
C 0.859123 -3.541827 -0.164076
C 5.357569 0.803598 -0.027799
C 4.529037 3.089587 0.088233
C -3.711597 -0.226136 0.152986
C 5.618629 2.181238 0.019510
C -4.834920 -0.681294 0.895194
C -3.900630 0.807728 -0.802922
C -6.308102 0.929638 -0.252451
C -6.107939 -0.113787 0.687901
C -5.178361 1.373722 -0.987281
C -7.685559 1.524534 -0.487066
H 0.535381 2.625769 0.251716
H -1.741298 1.744676 0.384788
H -1.242399 -3.084126 -0.134680
H 3.050989 -3.686580 -0.211511
H 2.392674 3.346389 0.161496
H 0.688947 -4.617938 -0.270979
H -2.519395 -1.819097 0.724939
H 6.164217 0.065715 -0.084123
H 4.718154 4.168492 0.123641
H 6.648070 2.554036 0.001937
H -4.704396 -1.471426 1.645557
H -3.062260 1.147021 -1.418199
H -6.958643 -0.480573 1.274934
H -5.301742 2.169828 -1.731729
H -8.309965 1.472024 0.422338
H -7.623377 2.583029 -0.795720
H -8.225719 0.981582 -1.287401


