%chk=000118135.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118135

0 1
 O   -2.734900       1.652700      -1.324400    
 O   -2.796900       2.366000      0.8414000    
 N   -3.593400     -0.8692000      6.5600000E-02
 C   -2.463500      5.2400000E-02  0.4035000    
 C   -1.147000     -0.5956000     -4.5600001E-02
 C   0.1135000      0.1661000      0.3843000    
 C    1.376900     -0.5091000     -0.1562000    
 C   -3.297500      -2.282700      0.5725000    
 C   -4.890700     -0.3805000      0.7141000    
 C   -3.797900     -0.9278000      -1.449900    
 C    2.639500      0.2267000      0.2992000    
 C   -2.677300       1.500400     -7.0600003E-02
 C    3.901700     -0.4692000     -0.2144000    
 C    5.196000      0.2436000      0.1873000    
 C    6.456600     -0.4383000     -0.3464000    
 C    7.715000      0.2648000      0.1394000    
 H   -2.435100      8.6900003E-02   1.503100    
 H   -1.015800      -1.599800      0.3651000    
 H   -1.101800     -0.6801000      -1.135600    
 H   7.2899997E-02   1.197500      1.5699999E-02
 H   0.1547000      0.2137000       1.479100    
 H    1.341800     -0.5353000      -1.252100    
 H    1.415100      -1.548700      0.1915000    
 H   -4.235100      -2.849000      0.5593000    
 H   -2.924200      -2.223200       1.599200    
 H   -2.596200      -2.782800     -0.1014000    
 H   -4.744100     -0.3528000       1.797900    
 H   -5.133200      0.6139000      0.3301000    
 H   -5.690900      -1.081000      0.4559000    
 H   -4.270900     -8.2999999E-03  -1.800300    
 H   -2.864200      -1.139700      -1.969700    
 H   -4.497200      -1.748600      -1.648400    
 H    2.615000       1.260200     -6.6500001E-02
 H    2.668000      0.2712000       1.394600    
 H    3.857300     -0.5353000      -1.308700    
 H    3.927300      -1.498700      0.1637000    
 H    5.246900      0.2944000       1.282200    
 H    5.165000       1.278400     -0.1758000    
 H    6.480000      -1.483900     -1.8200001E-02
 H    6.440800     -0.4416000      -1.442300    
 H    7.774600      0.2525000       1.232400    
 H    8.604700     -0.2361000     -0.2548000    
 H    7.735500       1.307100     -0.1947000    


%chk=000118135-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118135

0 1
O -3.462431 1.586986 -1.263846
O -1.964688 2.357486 0.371810
N -3.708262 -0.926600 0.110290
C -2.438297 0.007619 0.331436
C -1.152359 -0.609479 -0.272043
C 0.118014 -0.016107 0.386645
C 1.412629 -0.481142 -0.314654
C -3.581921 -2.193338 0.937920
C -4.950575 -0.168659 0.577741
C -3.879579 -1.277733 -1.366857
C 2.689593 0.070604 0.358237
C -2.661422 1.474518 -0.244045
C 3.990482 -0.356687 -0.357897
C 5.269001 0.192301 0.314583
C 6.569079 -0.225117 -0.410246
C 7.841910 0.329160 0.265734
H -2.347971 0.072584 1.433449
H -1.119702 -1.712581 -0.145177
H -1.125512 -0.404689 -1.359505
H 0.042095 1.086115 0.370378
H 0.149886 -0.314669 1.455977
H 1.390188 -0.153185 -1.374858
H 1.459306 -1.591729 -0.330842
H -4.475280 -2.818960 0.776312
H -3.504325 -1.919206 2.001885
H -2.684417 -2.749895 0.633191
H -4.791453 0.160465 1.616869
H -5.064217 0.704238 -0.082670
H -5.821309 -0.842336 0.517370
H -3.882430 -0.308098 -1.898804
H -3.034493 -1.904934 -1.686678
H -4.828038 -1.827176 -1.487451
H 2.633534 1.178040 0.389125
H 2.724274 -0.267936 1.415212
H 3.956043 -0.012329 -1.412838
H 4.043689 -1.465535 -0.394819
H 5.309862 -0.156092 1.368136
H 5.214227 1.300222 0.356752
H 6.623254 -1.332487 -0.452649
H 6.525839 0.123874 -1.462337
H 7.925904 -0.031057 1.308683
H 8.756399 0.019682 -0.273329
H 7.824473 1.435062 0.294908


