%chk=000039344.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039344

0 1
 O   -2.044700      -2.662200      -1.381000    
 N   -2.903600      0.3715000      0.6019000    
 C    2.248400      0.4323000      -1.676300    
 C    1.483200     -0.3434000     -0.6325000    
 C    2.672500       1.821300      -1.200400    
 C    3.920100       1.819100     -0.3188000    
 C    3.752400       1.119000       1.028500    
 C    3.504900     -0.3852000      0.9179000    
 C    2.073500     -0.7273000      0.5859000    
 C  -0.5943000      -1.420800      4.4500001E-02
 C   0.1479000     -0.6992000     -0.8896000    
 C   -2.010900      -1.784500     -0.2477000    
 C    1.313100      -1.457000       1.516200    
 C  -1.1400000E-02  -1.799800       1.247800    
 C   -2.884200     -0.5470000     -0.5343000    
 C   -3.723800       1.537200      0.3095000    
 C   -3.174000       2.279900     -0.9049000    
 C   -3.769100       2.446200       1.533500    
 H    3.113900     -0.1542000      -2.008400    
 H    1.618300      0.5597000      -2.566000    
 H    2.900500       2.427400      -2.086500    
 H    1.846400       2.323400     -0.6818000    
 H    4.205200       2.861400     -0.1285000    
 H    4.756600       1.367200     -0.8664000    
 H    2.955300       1.602500       1.606700    
 H    4.682500       1.268300       1.591600    
 H    3.770700     -0.8415000       1.880200    
 H    4.173100     -0.8433000      0.1784000    
 H  -0.3019000     -0.4142000      -1.838100    
 H   -2.444000      -2.343000      0.5918000    
 H    1.750200      -1.764200       2.463500    
 H  -0.5727000      -2.362700       1.988600    
 H   -3.903300     -0.8884000     -0.7598000    
 H   -2.515800     -8.0300003E-02  -1.452800    
 H   -4.754200       1.225300      9.5799997E-02
 H   -3.261800     -0.1109000       1.425600    
 H   -2.975400      -2.892800      -1.543300    
 H   -2.091600       2.437400     -0.8317000    
 H   -3.639100       3.269400     -0.9873000    
 H   -3.392000       1.765500      -1.846000    
 H   -4.404300       3.318800       1.345700    
 H   -4.181200       1.919200       2.401400    
 H   -2.770200       2.809400       1.800800    


%chk=000039344-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039344

0 1
O -1.843668 -2.108803 -1.997345
N -3.457934 0.113878 0.571243
C 2.899656 -0.499478 -1.732523
C 1.778756 -0.576611 -0.702852
C 3.474205 0.928363 -1.962416
C 4.467345 1.404337 -0.875540
C 3.881032 1.542940 0.549548
C 3.369493 0.208623 1.166477
C 2.003242 -0.241388 0.665742
C -0.592986 -1.075535 -0.201947
C 0.486916 -0.987884 -1.112122
C -1.983474 -1.486277 -0.668843
C 0.918474 -0.334775 1.572238
C -0.365459 -0.747590 1.155297
C -2.977543 -0.287248 -0.759753
C -4.120374 1.442620 0.683119
C -3.084407 2.582118 0.564153
C -4.853316 1.508615 2.038706
H 3.738881 -1.164454 -1.435593
H 2.519342 -0.889239 -2.695337
H 4.002007 0.938607 -2.937538
H 2.635219 1.647419 -2.048289
H 4.892307 2.381285 -1.183571
H 5.318919 0.691635 -0.838627
H 3.055351 2.282127 0.548212
H 4.672909 1.951417 1.209599
H 3.322067 0.320065 2.266517
H 4.128936 -0.576957 0.964559
H 0.308102 -1.264962 -2.155644
H -2.409700 -2.227523 0.046180
H 1.085814 -0.082565 2.627075
H -1.192898 -0.791020 1.870661
H -3.814395 -0.582365 -1.450314
H -2.456814 0.561537 -1.234998
H -4.881272 1.579474 -0.127994
H -4.032022 -0.624225 1.002521
H -2.748001 -2.268347 -2.368941
H -2.324433 2.481795 1.359266
H -3.581649 3.565003 0.660598
H -2.561103 2.565368 -0.408565
H -5.352422 2.485349 2.165263
H -5.627180 0.720334 2.119280
H -4.132726 1.373838 2.866198


