%chk=000054605.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054605

0 1
 O  -0.7871000       1.324700       1.639000    
 O   -6.555500     -0.5343000     -7.7399999E-02
 O   -5.560900      4.2100001E-02   1.792900    
 N   0.4904000      0.1403000      0.1092000    
 N    3.410100      -3.606200     -0.3274000    
 N   -5.525700     -0.2176000      0.5658000    
 C    1.773000      0.3978000      0.7286000    
 C    2.695000     -0.8222000      0.5425000    
 C    2.117900      -2.104500       1.158200    
 C    3.071200      -3.297300       1.056500    
 C    2.360600       1.692400      0.2070000    
 C    3.118400       2.479400       1.055900    
 C    2.126200       2.059100      -1.106400    
 C  -0.6948000      0.6344000      0.6275000    
 C    2.208100      -3.954100      -1.087300    
 C    4.382900      -4.698600     -0.3886000    
 C    3.659700       3.671900      0.5757000    
 C    2.667400       3.251600      -1.586500    
 C   -1.928400      0.2588000     -0.1102000    
 C    3.434300       4.058100     -0.7456000    
 C   -3.123400      0.2002000      0.5767000    
 C   -1.839900     -1.8300001E-02  -1.458600    
 C   -4.281800     -0.1514000     -0.1161000    
 C   -2.998400     -0.3699000      -2.151300    
 C   -4.219300     -0.4365000      -1.480100    
 H    1.587400      0.5219000       1.804200    
 H    2.881800     -0.9722000     -0.5285000    
 H    3.669800     -0.6110000       1.000900    
 H    1.932600      -1.919900       2.224700    
 H    1.138400      -2.345100      0.7323000    
 H    3.985000      -3.051100       1.612600    
 H    2.618200      -4.162400       1.558600    
 H   0.4915000     -0.4493000     -0.7160000    
 H    3.301300       2.185900       2.085500    
 H    1.549800       1.443500      -1.790000    
 H    2.480000      -4.289400      -2.095600    
 H    1.632400      -4.757300     -0.6129000    
 H    1.554800      -3.089900      -1.241200    
 H    4.677300      -4.894800      -1.425600    
 H    5.298500      -4.429300      0.1499000    
 H    3.989800      -5.627200      4.1000001E-02
 H    4.257400       4.299400       1.230400    
 H    2.495800       3.550200      -2.616500    
 H    3.856800       4.985900      -1.119900    
 H   -3.151100      0.4202000       1.640500    
 H  -0.9197000      5.8400001E-02  -2.027800    
 H   -2.951500     -0.5832000      -3.215300    
 H   -5.101400     -0.7116000      -2.052700    


%chk=000054605-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054605

0 1
O -0.457648 1.233189 1.218988
O -5.940253 -1.195035 -1.073200
O -5.232113 -0.189671 0.846580
N 1.104594 -0.216598 0.259186
N 1.631759 -2.948751 -0.189867
N -5.013594 -0.718672 -0.308665
C 2.214744 0.391968 1.023919
C 3.459520 -0.537260 0.982021
C 3.258891 -1.977303 1.532796
C 2.980090 -3.052312 0.455662
C 2.583039 1.785898 0.498838
C 2.744085 2.868009 1.395693
C 2.820385 1.999827 -0.882016
C -0.169720 0.288379 0.412268
C 0.557808 -3.472260 0.700454
C 1.609867 -3.644338 -1.504508
C 3.147168 4.138860 0.927442
C 3.218639 3.268921 -1.355506
C -1.246278 -0.335921 -0.449192
C 3.388592 4.343043 -0.450470
C -2.583136 -0.250535 0.004897
C -0.974650 -0.933867 -1.706950
C -3.608772 -0.790134 -0.793651
C -2.024146 -1.454111 -2.499808
C -3.357054 -1.393871 -2.046708
H 1.890440 0.507945 2.079276
H 3.837076 -0.585024 -0.059515
H 4.247335 -0.026930 1.566207
H 4.184965 -2.290700 2.053139
H 2.464269 -1.984485 2.304721
H 3.740195 -2.951433 -0.342604
H 3.108570 -4.068557 0.899522
H 1.265417 -1.193061 -0.126893
H 2.529550 2.720421 2.461071
H 2.672132 1.173973 -1.588796
H -0.424909 -3.322686 0.221806
H 0.688640 -4.556721 0.918605
H 0.556836 -2.921517 1.655536
H 0.605048 -3.555641 -1.952812
H 2.342631 -3.178895 -2.186645
H 1.853620 -4.728410 -1.415503
H 3.258880 4.970559 1.632265
H 3.393249 3.424122 -2.426582
H 3.694786 5.329514 -0.816662
H -2.804664 0.243854 0.954781
H 0.054919 -0.961630 -2.078718
H -1.804477 -1.894870 -3.477840
H -4.191426 -1.785686 -2.633960


