%chk=000099354.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099354

0 1
 O    3.331900      -1.172800     -0.7796000    
 O   -2.298700       1.323500     -0.9662000    
 O    3.119100      -1.198800       1.525500    
 O   -2.303400       1.204100       1.345800    
 N    1.683800       2.781400      9.6400000E-02
 C   0.5374000      0.1914000      5.3300001E-02
 C   6.5600000E-02 -0.7931000       1.134900    
 C    2.036700      0.4446000      0.2044000    
 C  -0.2882000       1.475000      0.1278000    
 C    2.542700       1.698400      0.1908000    
 C   0.3014000       2.691700      0.1168000    
 C   -1.207500      -1.476900      0.7308000    
 C    2.887600     -0.7354000      0.4236000    
 C   -1.744100       1.317000      0.2702000    
 C    4.003200       2.050000      0.2790000    
 C  -0.4217000       4.011200      0.1329000    
 C   -1.473000      -1.697800     -0.6160000    
 C   -2.110500      -1.883000       1.707000    
 C   -2.656800      -2.333100     -0.9914000    
 C   -3.294200      -2.518500       1.331600    
 C   -3.567300      -2.743400     -1.7500000E-02
 C    4.179000      -2.325500     -0.7320000    
 C   -3.722400       1.178300     -0.9940000    
 C    4.592000      -2.692500      -2.141400    
 C   -4.192700       1.203900      -2.432800    
 H   0.4648000     -0.1805000     -0.9698000    
 H  -5.0000001E-02 -0.2820000       2.100400    
 H   0.7684000      -1.614900       1.299500    
 H    2.094800       3.708200      8.9500003E-02
 H    4.308500       2.618700     -0.6059000    
 H    4.190700       2.664900       1.165800    
 H    4.651900       1.171900      0.3437000    
 H  -0.1568000       4.597600     -0.7536000    
 H   -1.510000       3.902800      0.1408000    
 H  -0.1408000       4.585000       1.022600    
 H  -0.7940000      -1.471100      -1.426300    
 H   -1.907500      -1.714000       2.760800    
 H   -2.864900      -2.520400      -2.040800    
 H   -4.002900      -2.838400       2.089700    
 H   -4.487800      -3.240200     -0.3098000    
 H    3.634400      -3.160200     -0.2764000    
 H    5.068000      -2.100700     -0.1321000    
 H   -4.179200       2.011200     -0.4470000    
 H   -4.016700      0.2387000     -0.5182000    
 H    5.242000      -3.571900      -2.142100    
 H    3.712000      -2.902300      -2.758300    
 H    5.122000      -1.860400      -2.616500    
 H   -5.280100       1.103800      -2.490700    
 H   -3.896800       2.139500      -2.918700    
 H   -3.731900      0.3901000      -3.002400    


%chk=000099354-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099354

0 1
O 2.521024 -1.053213 -1.306151
O -1.643217 0.818974 -1.468965
O 4.386918 0.170192 -0.621395
O -2.515703 2.527777 -0.157445
N 1.540890 2.643160 1.528661
C 0.651050 0.443893 0.041718
C 0.335177 -0.647518 1.142765
C 2.134200 0.809926 0.118948
C -0.228570 1.686243 0.230117
C 2.535779 1.836986 0.957543
C 0.210498 2.696706 1.065899
C -1.022596 -1.310642 0.990685
C 3.132030 0.005511 -0.597509
C -1.551124 1.754175 -0.428402
C 3.953992 2.235812 1.298095
C -0.539514 3.932216 1.511532
C -1.186330 -2.401033 0.095686
C -2.156780 -0.853343 1.709206
C -2.445241 -3.015974 -0.078129
C -3.421455 -1.461966 1.535651
C -3.570758 -2.546891 0.641401
C 3.443265 -1.909947 -2.101718
C -2.963848 0.740848 -2.155093
C 2.587140 -2.997635 -2.744615
C -2.822275 -0.304837 -3.257157
H 0.437057 -0.007862 -0.937290
H 0.428982 -0.170256 2.137212
H 1.133315 -1.409395 1.062477
H 1.844012 3.387495 2.159047
H 4.421224 2.782613 0.458930
H 3.976731 2.884223 2.194574
H 4.586562 1.351790 1.466959
H -0.082545 4.845498 1.083082
H -1.588602 3.877689 1.191591
H -0.505851 4.025460 2.615209
H -0.316197 -2.762865 -0.467026
H -2.048423 -0.014997 2.408288
H -2.550511 -3.863372 -0.766079
H -4.285840 -1.093078 2.099811
H -4.548296 -3.025472 0.511614
H 4.215263 -2.322479 -1.426715
H 3.952585 -1.276323 -2.851077
H -3.218589 1.742584 -2.546922
H -3.723480 0.459973 -1.403079
H 3.221706 -3.659588 -3.361976
H 2.090093 -3.614254 -1.975336
H 1.810646 -2.555568 -3.392365
H -3.778871 -0.406553 -3.802189
H -2.039389 -0.013663 -3.978722
H -2.558132 -1.285918 -2.827244


