%chk=000070419.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070419

0 1
 O  -0.6195000       3.533100      0.1841000    
 N   -2.598600      0.5896000      0.2424000    
 N    1.463200      0.5488000     -0.9284000    
 N   -2.772000       2.826300      0.6742000    
 C   -1.256000       1.160500     -4.3600000E-02
 C  -0.1845000      0.6216000      0.9213000    
 C  -0.8880000       1.044100      -1.533900    
 C    1.246300      0.9334000      0.4714000    
 C   0.5907000       1.327300      -1.815600    
 C   -1.462800       2.651900      0.2723000    
 C   -3.532600       1.619600      0.6825000    
 C    2.865900      0.7455000      -1.296700    
 C   -3.018100     -0.7292000      0.1353000    
 C    3.790700     -7.7100001E-02 -0.4467000    
 C   -4.350200      -1.121200      0.4447000    
 C   -2.140700      -1.764700     -0.2907000    
 C   -4.772300      -2.446200      0.3364000    
 C   -2.562700      -3.089800     -0.3992000    
 C    4.295000      0.4550000      0.7342000    
 C    4.133700      -1.362500     -0.8493000    
 C   -3.878600      -3.430500     -8.5500002E-02
 C    5.154600     -0.3090000       1.523800    
 C    4.993000      -2.126600     -5.9799999E-02
 C    5.503500      -1.599800       1.126700    
 H  -0.2662000     -0.4611000       1.051900    
 H  -0.3352000       1.039200       1.926300    
 H   -1.497300       1.736200      -2.131100    
 H   -1.118400      5.1700000E-02  -1.931300    
 H    1.475300       1.993700      0.6359000    
 H    1.863500      0.3528000       1.160800    
 H   0.7870000       1.058100      -2.861200    
 H   0.7947000       2.401700      -1.725100    
 H   -3.888200       1.452400       1.704200    
 H   -4.372100       1.745500     -8.6000003E-03
 H   -3.153400       3.729300      0.9379000    
 H    3.151800       1.805000      -1.232100    
 H    3.017900      0.4632000      -2.347400    
 H   -5.086200     -0.3934000      0.7778000    
 H   -1.106300      -1.568600     -0.5510000    
 H   -5.796700      -2.712300      0.5804000    
 H   -1.867600      -3.856900     -0.7280000    
 H    4.047400       1.465000       1.049300    
 H    3.740800      -1.784200      -1.770300    
 H   -4.207200      -4.462200     -0.1700000    
 H    5.555100      0.1025000       2.445600    
 H    5.264600      -3.131800     -0.3685000    
 H    6.173300      -2.194500       1.741000    


%chk=000070419-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000070419

0 1
O -0.805261 3.628641 0.221906
N -2.682266 0.553084 0.156137
N 1.511876 0.763659 -0.736334
N -2.969413 2.785634 0.580862
C -1.338284 1.178356 -0.040221
C -0.281087 0.651482 0.984807
C -0.832983 1.047811 -1.515014
C 1.152633 1.116246 0.663616
C 0.632776 1.492060 -1.688413
C -1.629839 2.674172 0.259799
C -3.714077 1.529909 0.552750
C 2.948794 0.998194 -1.020842
C -3.030649 -0.801818 0.026596
C 3.873371 0.026174 -0.293389
C -4.381204 -1.209223 0.272805
C -2.094946 -1.818829 -0.345914
C -4.768953 -2.558938 0.151038
C -2.500539 -3.162490 -0.462649
C 5.129520 0.460448 0.196427
C 3.514027 -1.337122 -0.140150
C -3.837056 -3.553897 -0.217769
C 6.016560 -0.448369 0.818760
C 4.394703 -2.246275 0.485723
C 5.651794 -1.806293 0.965179
H -0.303131 -0.450600 0.990405
H -0.563860 0.988490 2.000143
H -1.486638 1.650046 -2.174252
H -0.926315 -0.002749 -1.835460
H 1.246521 2.214889 0.833980
H 1.855652 0.604490 1.345029
H 0.957308 1.253272 -2.719242
H 0.710525 2.596431 -1.550762
H -4.146659 1.290211 1.549898
H -4.548835 1.567836 -0.182092
H -3.393634 3.681710 0.818603
H 3.258520 2.047524 -0.781431
H 3.084888 0.873508 -2.114594
H -5.140558 -0.476044 0.561544
H -1.049936 -1.574836 -0.546612
H -5.812747 -2.830407 0.348234
H -1.754761 -3.912872 -0.750145
H 5.413892 1.515527 0.093250
H 2.533694 -1.660643 -0.507951
H -4.141386 -4.601147 -0.311023
H 6.984822 -0.096601 1.193174
H 4.104005 -3.297197 0.599726
H 6.335735 -2.512055 1.450268


