%chk=000013974.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013974

0 1
 O    2.427300       1.752600      -1.004300    
 O   9.1300003E-02  -1.620500       1.143100    
 O   -1.993200       1.453800      -1.716700    
 N    1.284800     -7.5700000E-02 -0.1014000    
 N   -1.102400     -0.1332000     -0.2252000    
 C    2.518000     -0.7784000      0.1587000    
 C    3.296900      -1.004700      -1.139600    
 C    3.359900     -2.1299999E-02   1.188700    
 C    4.631400      -1.699200     -0.8806000    
 C    4.695100     -0.7158000       1.443800    
 C    5.468200     -0.9439000      0.1479000    
 C    1.381900       1.209600     -0.6465000    
 C   7.8500003E-02   1.958700     -0.6723000    
 C   8.3200000E-02 -0.6960000      0.3234000    
 C   -1.117500       1.081000     -0.9346000    
 C  -0.1120000       2.716500      0.6385000    
 C   -2.346700     -0.8614000     -9.3199998E-02
 C   -1.371000       3.526000      0.6178000    
 C   -3.549800     -0.1662000     -6.6100001E-02
 C   -2.324700      -2.247500      4.4000000E-03
 C   -4.748700     -0.8676000      6.0600001E-02
 C   -3.523800      -2.948800      0.1310000    
 C   -2.390700       3.340800       1.463500    
 C   -4.735800      -2.258700      0.1591000    
 H    2.301800      -1.771000      0.5736000    
 H    3.515200     -8.2999997E-02  -1.684200    
 H    2.698100      -1.620500      -1.822900    
 H    2.806600      5.2800000E-02   2.133500    
 H    3.574500       1.008000      0.8856000    
 H    5.190700      -1.788200      -1.818900    
 H    4.447700      -2.719600     -0.5223000    
 H    4.516000      -1.680000       1.935600    
 H    5.298700     -0.1148000       2.133300    
 H    6.386100      -1.503700      0.3596000    
 H    5.772500      2.3700001E-02 -0.2697000    
 H   0.1433000       2.667100      -1.510200    
 H   0.7351000       3.394900      0.8011000    
 H  -0.1120000       2.026000       1.492100    
 H   -1.447200       4.316200     -0.1246000    
 H   -3.608200      0.9167000     -8.7200001E-02
 H   -1.417500      -2.836100     -8.0799997E-02
 H   -5.692000     -0.3302000      9.3800001E-02
 H   -3.515700      -4.033200      0.1925000    
 H   -3.276000       3.963900       1.401000    
 H   -2.363800       2.568900       2.224700    
 H   -5.669400      -2.804900      0.2567000    


%chk=000013974-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013974

0 1
O 2.382719 1.835124 -1.125646
O 0.109221 -1.765010 0.838990
O -2.245655 1.437345 -1.637777
N 1.293392 0.012539 -0.129435
N -1.135822 -0.148845 -0.308015
C 2.589996 -0.687544 0.209043
C 3.365982 -1.101730 -1.066026
C 3.462282 0.140337 1.182330
C 4.632763 -1.900084 -0.670805
C 4.726850 -0.669440 1.563357
C 5.523372 -1.095684 0.306292
C 1.316198 1.281296 -0.743998
C -0.021004 2.003175 -0.825244
C 0.089334 -0.687995 0.191703
C -1.221778 1.093816 -0.999610
C -0.185015 2.879382 0.480976
C -2.350714 -0.944284 -0.146371
C -1.475247 3.668446 0.506197
C -3.456229 -0.366987 0.515831
C -2.420748 -2.256041 -0.661946
C -4.643637 -1.114704 0.664445
C -3.609260 -3.000539 -0.502359
C -2.345775 3.676412 1.546198
C -4.722639 -2.432935 0.159054
H 2.269698 -1.605756 0.733522
H 3.654150 -0.198951 -1.633314
H 2.713302 -1.716580 -1.715633
H 2.876485 0.384762 2.089644
H 3.760987 1.090012 0.704068
H 5.202205 -2.163275 -1.582551
H 4.335175 -2.855781 -0.191278
H 4.430662 -1.575297 2.132006
H 5.364194 -0.063605 2.235360
H 6.404972 -1.696977 0.600815
H 5.905646 -0.190638 -0.208520
H 0.012377 2.684726 -1.690893
H 0.685262 3.565408 0.493277
H -0.112778 2.234679 1.377118
H -1.691430 4.273357 -0.386345
H -3.391502 0.658646 0.893425
H -1.555571 -2.693954 -1.168370
H -5.504351 -0.668141 1.173573
H -3.664772 -4.020979 -0.896089
H -3.255092 4.286685 1.525520
H -2.169030 3.081322 2.451553
H -5.644476 -3.012613 0.278224


