%chk=000132806.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132806

0 1
 O    2.466300      -2.265700     -6.1999999E-02
 O   -2.353200       1.873200       1.633800    
 N    1.639900      0.2530000      0.9042000    
 C    2.826000     -0.3957000       1.424800    
 C    1.619500       1.101500     -0.1798000    
 C   0.3782000      0.1111000       1.416600    
 C   0.2958000       1.509700     -0.3573000    
 C  -0.4759000      0.8770000      0.6572000    
 C    3.452300      -1.349500      0.3998000    
 C    3.845600      0.6227000       1.939800    
 C   0.1039000     -0.7476000       2.589600    
 C    2.660800       1.534500      -1.008300    
 C  -5.7999999E-03   2.393300      -1.412600    
 C   -1.890200      0.9887000      0.8833000    
 C    2.337800       2.410400      -2.048500    
 C    1.025700       2.834500      -2.249500    
 C   -2.896000      6.9600001E-02  0.2471000    
 C    2.986200      -3.127600      -1.064400    
 C   -2.435900     -0.9180000     -0.5848000    
 C   -4.222800      0.2649000      0.5309000    
 C    1.894800      -4.075400      -1.514200    
 C   -3.368900      -1.770800      -1.174800    
 C   -5.155700     -0.5879000     -5.9099998E-02
 C   -4.728500      -1.605800     -0.9119000    
 H    2.525700      -1.007800       2.280600    
 H    4.258900      -1.914700      0.8841000    
 H    3.892900     -0.8253000     -0.4514000    
 H    4.639300      0.1078000       2.493200    
 H    4.333800       1.196300       1.149900    
 H    3.373600       1.334300       2.626700    
 H   0.6624000     -0.4066000       3.467400    
 H  -0.9572000     -0.7290000       2.859300    
 H   0.3634000      -1.791100       2.382500    
 H    3.691400       1.231500     -0.8839000    
 H   -1.023700       2.732600      -1.582100    
 H    3.123200       2.766600      -2.710300    
 H   0.7990000       3.516000      -3.065200    
 H    3.333000      -2.536300      -1.919300    
 H    3.829400      -3.699300     -0.6611000    
 H   -1.387100      -1.074700     -0.8108000    
 H   -4.579600       1.049000       1.190700    
 H    1.527200      -4.668100     -0.6700000    
 H    2.261000      -4.754200      -2.289500    
 H    1.038400      -3.517800      -1.907700    
 H   -3.036600      -2.563500      -1.838900    
 H   -6.214700     -0.4599000      0.1454000    
 H   -5.454800      -2.269800      -1.371300    


%chk=000132806-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000132806

0 1
O 3.016271 -2.515762 0.439525
O -2.294591 -0.069606 2.375559
N 1.750605 0.122025 0.904358
C 3.093892 -0.295715 1.373098
C 1.471469 0.929088 -0.222271
C 0.546338 -0.265180 1.504721
C 0.041661 1.049890 -0.328575
C -0.535461 0.278103 0.771438
C 3.763243 -1.259793 0.373408
C 3.992528 0.905578 1.748121
C 0.513143 -1.178780 2.694748
C 2.346092 1.558719 -1.137677
C -0.500655 1.872463 -1.351314
C -1.949174 0.106307 1.154257
C 1.778223 2.345843 -2.160109
C 0.368545 2.509831 -2.258115
C -3.029779 0.097779 0.101031
C 3.418339 -3.481040 -0.597058
C -2.807368 -0.400025 -1.209977
C -4.338039 0.504723 0.474537
C 2.548651 -4.725645 -0.428165
C -3.873868 -0.481626 -2.132065
C -5.398648 0.442101 -0.452058
C -5.169420 -0.053045 -1.759086
H 2.925099 -0.885343 2.289907
H 4.823806 -1.422388 0.668877
H 3.745568 -0.847982 -0.658122
H 4.899925 0.543864 2.264026
H 4.310894 1.496650 0.873826
H 3.453096 1.581640 2.433330
H 0.974716 -0.710771 3.586123
H -0.533508 -1.391183 2.954759
H 1.049062 -2.122910 2.484168
H 3.432924 1.457440 -1.071065
H -1.582011 2.009447 -1.438935
H 2.434196 2.844637 -2.882160
H -0.045988 3.141732 -3.051276
H 3.274933 -3.025734 -1.601913
H 4.497610 -3.727589 -0.481688
H -1.806277 -0.737096 -1.498395
H -4.499023 0.854492 1.499667
H 2.697861 -5.171031 0.570547
H 2.805474 -5.482047 -1.191811
H 1.481598 -4.466063 -0.535990
H -3.695999 -0.879784 -3.137359
H -6.402143 0.770222 -0.158876
H -5.995010 -0.110336 -2.477771


