%chk=000017765.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017765

0 1
 O    5.007300     -0.8527000     -0.2156000    
 N    2.508600      0.4577000      0.1599000    
 N   -1.640600       2.782200       1.631800    
 C   -1.298700       1.042100     -0.3382000    
 C   0.2404000      0.9725000     -0.6294000    
 C    1.098500      0.4736000      0.5436000    
 C   -1.988500       1.642900      -1.608600    
 C    2.732900     -0.4613000     -0.9647000    
 C    3.355100      7.5800002E-02   1.298800    
 C   -1.853800     -0.3632000     -4.2900000E-02
 C    4.212400     -0.4707000      -1.338900    
 C    4.819700      5.4800000E-02  0.8710000    
 C   -3.495400       1.868200      -1.485000    
 C   -1.495300       2.013400      0.7741000    
 C   -2.454900     -0.5823000       1.170200    
 C   -1.721500      -1.329600      -1.007200    
 C   -2.958200      -1.855300       1.437800    
 C   -2.224900      -2.602700     -0.7395000    
 C   -2.843200      -2.865500      0.4829000    
 H   0.5965000       1.975100     -0.9099000    
 H   0.3692000      0.3496000      -1.517600    
 H   0.7730000     -0.5233000      0.8646000    
 H   0.9707000       1.148800       1.397500    
 H   -1.532200       2.615300      -1.841900    
 H   -1.806400       1.012600      -2.487700    
 H    2.208300     -0.1565000      -1.872600    
 H    2.413500      -1.477800     -0.7012000    
 H    3.069300     -0.9175000       1.669100    
 H    3.235600      0.7920000       2.119700    
 H    4.391600      -1.200400      -2.135200    
 H    4.544300      0.5085000      -1.705700    
 H    5.170800       1.052400      0.5798000    
 H    5.445600     -0.2868000       1.701500    
 H   -3.882600       2.292600      -2.417400    
 H   -4.029400      0.9310000      -1.303100    
 H   -3.738600       2.568300     -0.6804000    
 H   -2.569700      0.1657000       1.944700    
 H   -1.246800      -1.150400      -1.965300    
 H   -3.439700      -2.060800       2.389400    
 H   -2.135900      -3.389500      -1.482900    
 H   -3.235100      -3.856700      0.6912000    


%chk=000017765-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017765

0 1
O 5.215002 -0.773803 -0.089960
N 2.538594 0.362778 0.075262
N -1.573480 2.686835 1.775072
C -1.298963 1.075841 -0.344709
C 0.234845 0.995237 -0.683345
C 1.104281 0.421049 0.453769
C -2.044753 1.765831 -1.550535
C 2.849691 -0.761480 -0.847583
C 3.429968 0.297461 1.264855
C -1.887274 -0.332105 -0.075371
C 4.329185 -0.709268 -1.262760
C 4.901571 0.339252 0.823139
C -3.555965 1.975719 -1.336841
C -1.459912 1.951069 0.842403
C -2.515349 -0.673636 1.147168
C -1.807398 -1.317860 -1.094083
C -3.048993 -1.967483 1.349225
C -2.338832 -2.609733 -0.894517
C -2.963038 -2.941844 0.330678
H 0.603997 2.007320 -0.931992
H 0.335179 0.379829 -1.596793
H 0.716583 -0.581305 0.761927
H 1.016552 1.085846 1.333967
H -1.551566 2.737454 -1.746072
H -1.874611 1.134784 -2.443875
H 2.220706 -0.684353 -1.753614
H 2.636968 -1.749953 -0.365879
H 3.255015 -0.634994 1.858841
H 3.217872 1.164545 1.918467
H 4.598695 -1.579729 -1.883796
H 4.522113 0.228405 -1.827823
H 5.110596 1.306953 0.317978
H 5.579454 0.215007 1.683710
H -4.004903 2.454657 -2.225437
H -4.076102 1.016539 -1.166869
H -3.750152 2.629429 -0.467427
H -2.589249 0.071797 1.946850
H -1.331090 -1.082669 -2.053353
H -3.530787 -2.210688 2.302734
H -2.266689 -3.356140 -1.693562
H -3.375861 -3.944498 0.486850


