%chk=000028977.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028977

0 1
 O    1.954800     -0.6244000      0.1018000    
 O   0.5130000       4.141600     -0.2418000    
 O   0.9500000      -2.681300      0.2271000    
 N   -2.592900     -0.3684000      2.2600001E-02
 N    5.639400     -0.7853000      0.1805000    
 C   -1.993400      0.8686000     -5.2499998E-02
 C  -0.6131000      0.6589000     -1.9700000E-02
 C   -1.641900      -1.350100      0.1019000    
 C  -0.4063000     -0.7455000      7.8000002E-02
 C   -3.974500     -0.5920000      1.8700000E-02
 C    4.314900     -0.1869000      0.1044000    
 C   0.2441000       1.775500     -8.3499998E-02
 C   -2.561600       2.144000     -0.1461000    
 C   -1.990600      -2.786600      0.1943000    
 C   0.8463000      -1.445900      0.1422000    
 C    3.237700      -1.258100      0.1621000    
 C    6.676800      0.2488000      0.1672000    
 C    5.848000      -1.724500     -0.9242000    
 C  -0.3101000       3.057300     -0.1774000    
 C   -1.691600       3.236400     -0.2080000    
 C   -4.629800     -0.7818000      -1.188600    
 C   -4.662700     -0.6232000       1.222000    
 C    6.482100       1.236700       1.305000    
 C    7.201100      -2.407100     -0.8163000    
 C   -6.006200      -1.007800      -1.192400    
 C   -6.039200     -0.8493000       1.218100    
 C   -6.710900      -1.041700      1.0700000E-02
 C    1.916500       3.892200     -0.2060000    
 H    4.116000      0.4820000      0.9490000    
 H    4.187500      0.4190000     -0.8030000    
 H    1.310400       1.605700     -5.7999998E-02
 H   -3.635800       2.294200     -0.1708000    
 H   -3.063500      -2.993200      0.1914000    
 H   -1.587100      -3.213800       1.118700    
 H   -1.559500      -3.334400     -0.6507000    
 H    3.311800      -1.834200       1.092100    
 H    3.275400      -1.935000     -0.6950000    
 H    6.704400      0.7888000     -0.7877000    
 H    7.665100     -0.1945000      0.3266000    
 H    5.750400      -1.238300      -1.902800    
 H    5.129700      -2.547500     -0.8878000    
 H   -2.106900       4.238800     -0.2816000    
 H   -4.091600     -0.7586000      -2.132500    
 H   -4.150300     -0.4754000       2.169100    
 H    7.386800       1.844600       1.419800    
 H    6.308900      0.7294000       2.260400    
 H    5.661900       1.936400       1.117000    
 H    8.026800      -1.746300      -1.097700    
 H    7.382000      -2.794500      0.1923000    
 H    7.238200      -3.259800      -1.504000    
 H   -6.529300      -1.157900      -2.132400    
 H   -6.587900     -0.8759000       2.154900    
 H   -7.782600      -1.218000      7.6000001E-03
 H    2.417800       4.863900     -0.2658000    
 H    2.246500       3.311700      -1.074500    
 H    2.222400       3.435900      0.7418000    


%chk=000028977-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028977

0 1
O 2.108689 0.085239 0.746457
O -0.186519 4.680445 1.155255
O 1.508653 -2.118295 0.250210
N -2.443167 -0.299262 -0.049732
N 5.569077 -0.992097 -0.355244
C -2.038074 1.028920 0.253416
C -0.623933 1.018168 0.464431
C -1.322108 -1.141236 -0.030162
C -0.183033 -0.360865 0.283739
C -3.802575 -0.693627 -0.311549
C 4.221243 -0.390709 -0.496993
C 0.047579 2.229976 0.772098
C -2.800481 2.214943 0.317648
C -1.425336 -2.619158 -0.266829
C 1.164701 -0.910767 0.406629
C 3.517261 -0.383555 0.874053
C 6.612054 -0.341758 -1.189366
C 5.543124 -2.476698 -0.483653
C -0.719176 3.411908 0.852975
C -2.127590 3.409279 0.622659
C -4.139347 -1.331568 -1.529927
C -4.807168 -0.422943 0.650079
C 7.036117 1.036862 -0.648155
C 6.679466 -3.167894 0.293341
C -5.477184 -1.708906 -1.777981
C -6.144606 -0.792198 0.389454
C -6.484033 -1.438449 -0.822295
C 1.252296 4.755923 1.408254
H 4.312400 0.647716 -0.861684
H 3.588010 -0.942030 -1.229142
H 1.125741 2.212083 0.934455
H -3.878229 2.216239 0.130135
H -2.371352 -3.027679 0.129403
H -0.567087 -3.119820 0.205646
H -1.380790 -2.866232 -1.345236
H 3.994362 0.333965 1.559155
H 3.522206 -1.393730 1.317643
H 6.285103 -0.246147 -2.256148
H 7.496890 -1.004073 -1.192766
H 5.575161 -2.786829 -1.558670
H 4.572305 -2.831028 -0.090295
H -2.663626 4.360523 0.688488
H -3.361432 -1.513122 -2.278333
H -4.533706 0.056290 1.595699
H 7.830976 1.474423 -1.280885
H 7.416350 0.936961 0.383408
H 6.191597 1.750081 -0.632610
H 7.676956 -2.861979 -0.071824
H 6.617364 -2.911403 1.365319
H 6.606458 -4.266442 0.186166
H -5.733540 -2.202771 -2.721432
H -6.918148 -0.583939 1.136497
H -7.521874 -1.727273 -1.019779
H 1.452256 5.815182 1.628223
H 1.835083 4.441236 0.520200
H 1.542035 4.131317 2.276054


