%chk=000051085.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051085

0 1
 O   -5.232100      -1.315600      -1.130200    
 O    5.572600      -1.796700     -0.6149000    
 O    1.190200       3.174000      0.6373000    
 N   -2.333000      0.2664000      0.4336000    
 N    2.005900      8.1200004E-02  0.5130000    
 C  -9.6000001E-02   1.258800     -0.1098000    
 C   -1.585400       1.500700      0.1938000    
 C   0.6372000      0.3886000      0.9274000    
 C   -3.727100      0.5698000      0.7831000    
 C   -2.259100     -0.6150000     -0.7394000    
 C    2.006200     -0.6280000     -0.7747000    
 C    2.694500     -0.6989000       1.551300    
 C   -4.508200     -0.7093000       1.100500    
 C   -2.983200      -1.940200     -0.4817000    
 C    3.432200     -0.9120000      -1.245100    
 C    4.142300     -0.9846000       1.154300    
 C   -4.428000      -1.734000     -2.9800000E-02
 C    4.217900      -1.692000     -0.1958000    
 C   0.6343000       2.592200     -0.2949000    
 C   0.6187000       3.194400      -1.677700    
 H  -7.4000001E-02  0.7914000      -1.095700    
 H   -2.038000       2.080100     -0.6226000    
 H   -1.647000       2.136100       1.087700    
 H   0.6574000      0.9248000       1.885300    
 H   8.6400002E-02 -0.5437000       1.103300    
 H   -4.224900       1.113700     -3.0500000E-02
 H   -3.757400       1.214200       1.670100    
 H   -1.229000     -0.8912000     -0.9812000    
 H   -2.684800     -0.1257000      -1.625300    
 H    1.573100     -3.4899998E-02  -1.582200    
 H    1.442300      -1.567600     -0.7087000    
 H    2.171900      -1.645700       1.741100    
 H    2.704000     -0.1371000       2.493200    
 H   -4.105000      -1.154200       2.019100    
 H   -5.554600     -0.4453000       1.293700    
 H   -2.954700      -2.543100      -1.397000    
 H   -2.441200      -2.496400      0.2939000    
 H    3.412400      -1.474000      -2.186900    
 H    3.949300      3.0099999E-02  -1.472600    
 H    4.714300     -4.7699999E-02   1.115300    
 H    4.630700      -1.598100       1.921000    
 H   -4.844300      -2.685900      0.3187000    
 H    3.814000      -2.707000     -0.1009000    
 H   -5.167800      -2.000000      -1.817900    
 H    5.580000      -2.253000      -1.473500    
 H    1.171600       4.138000      -1.673900    
 H    1.099500       2.510300      -2.381200    
 H  -0.4110000       3.390800      -1.984900    


%chk=000051085-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051085

0 1
O -5.577813 -1.214532 -0.675376
O 5.463264 -1.943612 -0.626011
O -0.129492 3.865211 0.288743
N -2.351853 0.189624 0.173601
N 1.879301 0.147144 0.342355
C -0.226435 1.481486 -0.220456
C -1.721786 1.533496 0.183077
C 0.587086 0.672441 0.846643
C -3.534036 0.108069 1.077351
C -2.717880 -0.259764 -1.194859
C 1.713542 -1.083441 -0.470663
C 2.889521 -0.046413 1.416066
C -4.043364 -1.342515 1.180099
C -3.182821 -1.729171 -1.173789
C 3.049739 -1.492342 -1.125418
C 4.258304 -0.439720 0.823858
C -4.368484 -1.929754 -0.203718
C 4.130738 -1.697851 -0.045170
C 0.363707 2.892033 -0.350067
C 1.588172 3.036816 -1.234268
H -0.111764 0.962881 -1.192121
H -2.259231 2.253526 -0.479566
H -1.790580 1.950126 1.204304
H 0.789766 1.331712 1.712280
H -0.088982 -0.145361 1.191405
H -4.365730 0.760418 0.716755
H -3.231872 0.466768 2.078236
H -1.838481 -0.160657 -1.857168
H -3.531095 0.382221 -1.619444
H 0.953094 -0.899960 -1.251397
H 1.330681 -1.929732 0.159333
H 2.560444 -0.831999 2.145873
H 2.985767 0.900472 1.977970
H -3.266409 -1.971306 1.654702
H -4.951982 -1.378899 1.808145
H -3.465325 -2.052013 -2.196651
H -2.341937 -2.368419 -0.841094
H 2.904832 -2.421657 -1.713273
H 3.384915 -0.695916 -1.816094
H 4.642876 0.382589 0.192730
H 4.987913 -0.616902 1.634841
H -4.598164 -3.013250 -0.109677
H 3.833820 -2.559667 0.597333
H -5.799893 -1.530551 -1.587886
H 5.413179 -2.732680 -1.223728
H 2.034534 4.037929 -1.128139
H 2.312181 2.240230 -0.967697
H 1.311133 2.871591 -2.294273


