%chk=000059894.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059894

0 1
 O    1.700900      0.5437000       1.701800    
 O   -5.004200      -1.210000       1.100300    
 N    5.696800     -3.6499999E-02 -0.5197000    
 N    2.122200       1.009700     -0.5303000    
 N   -4.248000      0.2347000     -0.5860000    
 C    4.251800     -0.1959000     -0.6204000    
 C    6.112800      2.7500000E-02  0.8828000    
 C    6.386000      -1.132800      -1.203200    
 C    3.556200       1.140400     -0.4064000    
 C    7.609400      0.2606000       1.001400    
 C    6.070900      -2.469500     -0.5533000    
 C   -6.585300     -0.3771000     -0.5212000    
 C    1.276100      0.7161000      0.5455000    
 C  -0.1434000      0.5927000      0.2546000    
 C   -2.866200      0.3546000     -0.3036000    
 C   -5.194600     -0.5152000      0.1061000    
 C  -0.6957000       1.276400     -0.8285000    
 C  -0.9526000     -0.2101000       1.058600    
 C   -2.057100       1.157400      -1.107700    
 C   -2.314000     -0.3291000      0.7796000    
 C   -7.319000      0.8164000      8.7300003E-02
 C   -7.403100      -1.654000     -0.3379000    
 H    3.858100     -0.9350000      8.9500003E-02
 H    3.970800     -0.5484000      -1.622500    
 H    5.638500      0.8923000       1.360500    
 H    5.808900     -0.8395000       1.480100    
 H    6.068200      -1.160900      -2.253700    
 H    7.468100     -0.9719000      -1.253100    
 H    3.768400       1.563900      0.5797000    
 H    3.875700       1.867700      -1.161300    
 H    1.746400       1.075000      -1.470100    
 H    8.194700     -0.6345000      0.7705000    
 H    7.944500       1.079700      0.3557000    
 H    7.856100      0.5387000       2.032400    
 H    6.485200      -2.570900      0.4536000    
 H    5.003000      -2.703300     -0.5253000    
 H    6.537300      -3.263500      -1.149100    
 H   -6.472400     -0.2087000      -1.599600    
 H  -0.1090000       1.936100      -1.461000    
 H  -0.5396000     -0.7543000       1.904200    
 H   -4.567700      0.7705000      -1.390000    
 H   -7.449500      0.6922000       1.168000    
 H   -6.755100       1.742200     -7.0100002E-02
 H   -8.307800      0.9413000     -0.3659000    
 H   -8.368800      -1.574700     -0.8479000    
 H   -6.870600      -2.517100     -0.7516000    
 H   -7.594800      -1.860200      0.7210000    
 H   -2.476700       1.700900      -1.950500    
 H   -2.873600     -0.9698000       1.446100    


%chk=000059894-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059894

0 1
O 1.842200 0.748144 1.410939
O -5.104061 -0.697594 1.392745
N 5.757589 -0.230631 -0.358517
N 2.176323 0.938944 -0.880385
N -4.338089 0.309534 -0.587435
C 4.328434 -0.360956 -0.721777
C 5.971214 -0.183069 1.112295
C 6.668698 -1.131317 -1.106467
C 3.639073 1.031064 -0.740622
C 7.338740 0.402364 1.509736
C 6.533121 -2.651611 -0.811123
C -6.756052 -0.174046 -0.345064
C 1.358554 0.793485 0.232719
C -0.120882 0.684834 -0.021630
C -2.940011 0.417203 -0.350743
C -5.333461 -0.217391 0.244107
C -0.753969 1.132985 -1.211014
C -0.927469 0.124378 1.000709
C -2.144688 1.002621 -1.374248
C -2.318483 -0.020636 0.851402
C -7.658116 0.697310 0.566347
C -7.306261 -1.619343 -0.452672
H 3.763485 -1.018237 -0.020886
H 4.253313 -0.818513 -1.727447
H 5.172892 0.450619 1.540309
H 5.844452 -1.189822 1.583301
H 6.494403 -0.955807 -2.185941
H 7.708953 -0.813021 -0.907756
H 3.845287 1.549574 0.210463
H 4.053597 1.640562 -1.562822
H 1.778210 0.836493 -1.814037
H 8.178046 -0.242974 1.192187
H 7.476379 1.397389 1.050551
H 7.400436 0.509827 2.608366
H 6.769810 -2.886191 0.242466
H 5.507415 -3.009115 -1.017778
H 7.229200 -3.228205 -1.448856
H -6.731266 0.276032 -1.359668
H -0.179171 1.625415 -2.004366
H -0.433081 -0.192373 1.924802
H -4.659248 0.666061 -1.490853
H -7.659416 0.285243 1.590442
H -7.301717 1.742228 0.616885
H -8.695635 0.702255 0.186411
H -8.345821 -1.606577 -0.826727
H -6.698434 -2.239238 -1.136613
H -7.295090 -2.095284 0.543240
H -2.619745 1.366034 -2.294805
H -2.931455 -0.460846 1.639231


