%chk=000063415.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063415

0 1
 O    1.273500       1.870300       1.825900    
 O   -4.265800      0.5174000     -0.5288000    
 N    4.432700     -0.3530000      0.3978000    
 N  -0.2472000      0.9369000      0.2986000    
 N   -2.210600     -0.5241000     -0.1113000    
 C    4.290700     -0.7659000      -1.005500    
 C    5.774200      0.1875000      0.6594000    
 C    5.324700      -1.830600      -1.374600    
 C    6.856700     -0.8463000      0.3448000    
 C    6.742900      -1.349100      -1.089700    
 C    3.407800      0.6301000      0.7479000    
 C    2.033600      1.2700000E-02  0.5827000    
 C   0.9888000       1.038800      0.9607000    
 C  -0.7627000     -0.3458000     -0.1934000    
 C   -1.056800       2.078900      9.9999997E-05
 C   -2.405100       1.907800     -0.3507000    
 C   -3.053600      0.5708000     -0.3326000    
 C   -2.730500      -1.865000      1.6000001E-02
 C  -0.5346000       3.384700     -2.0999999E-03
 C   -3.202700       3.020400     -0.6738000    
 C   -1.331900       4.486000     -0.3248000    
 C   -2.666100       4.304400     -0.6590000    
 C   -4.006000      -2.065000      0.5358000    
 C   -1.953300      -2.948500     -0.3826000    
 C   -4.508600      -3.360300      0.6584000    
 C   -2.456200      -4.243800     -0.2600000    
 C   -3.733900      -4.449600      0.2605000    
 H    4.385200      9.3699999E-02  -1.681700    
 H    3.327900      -1.242300      -1.204500    
 H    5.864900      0.4632000       1.717100    
 H    5.951100       1.096400      6.8999998E-02
 H    5.229700      -2.088300      -2.435700    
 H    5.129400      -2.747700     -0.8040000    
 H    6.768100      -1.693300       1.037100    
 H    7.847200     -0.4054000      0.5045000    
 H    7.457900      -2.161000      -1.262000    
 H    7.000600     -0.5391000      -1.783100    
 H    3.499600       1.539400      0.1385000    
 H    3.549100      0.9297000       1.794400    
 H    1.832300     -0.2663000     -0.4531000    
 H    1.909100     -0.8664000       1.224500    
 H  -0.2750000      -1.130000      0.3938000    
 H  -0.4643000     -0.4385000      -1.245100    
 H   0.5118000       3.574900      0.2209000    
 H   -4.251300       2.908200     -0.9378000    
 H  -0.9030000       5.483900     -0.3213000    
 H   -3.287600       5.158300     -0.9106000    
 H   -4.623200      -1.255800      0.9112000    
 H  -0.9659000      -2.832800     -0.8191000    
 H   -5.498400      -3.522300       1.075500    
 H   -1.855700      -5.092200     -0.5751000    
 H   -4.124700      -5.458300      0.3574000    


%chk=000063415-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063415

0 1
O 1.401443 2.689003 0.437737
O -4.176373 0.344077 0.640362
N 4.120753 -0.569709 0.151581
N -0.391681 1.511940 -0.486517
N -2.075418 -0.234092 -0.259422
C 4.560104 -0.901724 -1.229039
C 5.282352 -0.498992 1.079330
C 5.307244 -2.251069 -1.270122
C 6.048222 -1.836369 1.114265
C 6.512897 -2.237819 -0.303683
C 3.292035 0.659274 0.212495
C 1.857674 0.398877 -0.293512
C 0.958869 1.622311 -0.077893
C -0.962951 0.293567 -1.086021
C -1.369516 2.550894 -0.315745
C -2.719379 2.128026 -0.118523
C -3.076490 0.689783 0.114166
C -2.172516 -1.648776 -0.011702
C -1.060693 3.932402 -0.361754
C -3.746403 3.096334 -0.004785
C -2.100304 4.879144 -0.248559
C -3.445412 4.468898 -0.078401
C -2.744349 -2.134414 1.194055
C -1.670925 -2.572925 -0.966222
C -2.796577 -3.522113 1.436167
C -1.718579 -3.960084 -0.707485
C -2.280492 -4.443498 0.494642
H 5.230035 -0.097257 -1.637597
H 3.672916 -0.950133 -1.887519
H 4.902899 -0.251786 2.088266
H 5.990315 0.319435 0.779356
H 5.638397 -2.455744 -2.306684
H 4.605641 -3.055157 -0.975111
H 5.378630 -2.618979 1.520472
H 6.913708 -1.745318 1.798477
H 7.006341 -3.228002 -0.285835
H 7.265747 -1.506809 -0.665208
H 3.742573 1.508058 -0.356995
H 3.233552 0.990093 1.264151
H 1.874695 0.133270 -1.369449
H 1.459665 -0.482165 0.246877
H -0.193735 -0.481436 -1.168484
H -1.334007 0.545822 -2.100537
H -0.025092 4.252698 -0.475201
H -4.766033 2.738376 0.169781
H -1.855661 5.945999 -0.296202
H -4.243025 5.213719 0.008194
H -3.153033 -1.430984 1.921572
H -1.273541 -2.224538 -1.926322
H -3.239328 -3.884192 2.370546
H -1.328208 -4.660457 -1.454070
H -2.322188 -5.519759 0.692609


