%chk=000014999.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014999

0 1
 O  -0.9004000     -8.7200001E-02   1.266200    
 O    1.631500      0.1181000       2.088400    
 O  -0.2578000       1.778900      8.5699998E-02
 N   -4.126400      0.7077000     -0.2469000    
 C   -2.975400     -0.1486000      3.4200002E-02
 C   -2.243900      0.3797000       1.268800    
 C    1.408500      8.2099997E-02  0.6640000    
 C   -4.768600      0.3073000      -1.498500    
 C   -5.083900      0.6565000      0.8576000    
 C   -3.430900      -1.596200      0.2199000    
 C   1.5600000E-02  0.7164000      0.6312000    
 C    1.407700      -1.369800      0.1801000    
 C    2.481300      0.8983000     -6.0800001E-02
 C   -3.788100      0.3543000      -2.658100    
 C   -6.257900       1.588600      0.6100000    
 C    2.206200      -2.318300      0.8191000    
 C    2.171200       1.557200      -1.250500    
 C   0.6080000      -1.744900     -0.8997000    
 C    3.769100      0.9839000      0.4686000    
 C    2.205500      -3.641700      0.3783000    
 C    3.148800       2.301300      -1.911100    
 C   0.6073000      -3.068300      -1.340400    
 C    4.746600       1.728200     -0.1919000    
 C    1.583400       1.446500       2.569400    
 C    1.406000      -4.016700     -0.7013000    
 C    4.436300       2.386900      -1.381900    
 H   -2.254000     -0.1164000     -0.7873000    
 H   -2.261500       1.475900       1.326300    
 H   -2.696900      1.2100000E-02   2.196600    
 H   -5.280600     -0.6602000      -1.458500    
 H   -5.538600       1.042700      -1.758800    
 H   -5.505400     -0.3391000       1.030100    
 H   -4.626600      0.9902000       1.794500    
 H   -4.038900      -1.763000       1.113700    
 H   -2.541000      -2.224200      0.3594000    
 H   -3.944200      -2.019500     -0.6467000    
 H   -3.193800       1.274800      -2.655500    
 H   -3.114000     -0.5077000      -2.675200    
 H   -4.341200      0.3315000      -3.604300    
 H   -5.925200       2.588800      0.3117000    
 H   -6.948700       1.203000     -0.1462000    
 H   -6.838000       1.701200       1.533200    
 H    2.843900      -2.049400       1.656600    
 H    1.199600       1.469500      -1.725900    
 H  -1.0200000E-02  -1.022100      -1.424200    
 H    4.043500      0.4663000       1.383600    
 H    2.829000      -4.379800      0.8742000    
 H    2.911500       2.803200      -2.844700    
 H  -1.2800000E-02  -3.359600      -2.183200    
 H    5.750600       1.791000      0.2174000    
 H    1.880700       2.244400       1.883100    
 H   0.5800000       1.665400       2.952000    
 H    2.252800       1.501900       3.434600    
 H    1.406300      -5.046800      -1.045400    
 H    5.198600       2.962900      -1.898300    


%chk=000014999-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000014999

0 1
O -0.838074 0.693606 1.096390
O 1.669325 0.194982 1.887209
O -0.271247 1.085504 -1.125495
N -4.420372 0.374842 -0.120855
C -3.028905 -0.103145 0.120069
C -2.258790 1.062913 0.783370
C 1.452601 0.166873 0.430579
C -5.005322 -0.113332 -1.397420
C -5.343043 0.307345 1.041250
C -2.901640 -1.435413 0.902441
C 0.048817 0.725417 0.032572
C 1.374894 -1.332788 0.053780
C 2.613778 0.890213 -0.280395
C -4.472184 0.647600 -2.627960
C -6.403462 1.426871 1.016681
C 1.196768 -2.318543 1.052819
C 2.495143 2.157941 -0.899718
C 1.435020 -1.717120 -1.308867
C 3.896062 0.285445 -0.199585
C 1.100752 -3.682076 0.690867
C 3.634198 2.801410 -1.437580
C 1.331635 -3.078359 -1.666783
C 5.031905 0.926852 -0.733588
C 1.758615 1.532335 2.485405
C 1.166771 -4.066914 -0.667720
C 4.904981 2.190591 -1.358571
H -2.573859 -0.252988 -0.875864
H -2.269016 1.937284 0.111653
H -2.673551 1.323955 1.770456
H -4.835431 -1.210253 -1.530927
H -6.100643 0.025822 -1.342214
H -5.852184 -0.685123 1.113338
H -4.745994 0.412960 1.966053
H -3.273862 -1.344522 1.939189
H -1.845938 -1.754641 0.952925
H -3.476655 -2.233035 0.396781
H -4.715194 1.721283 -2.544588
H -3.374736 0.557252 -2.721441
H -4.923566 0.250385 -3.556861
H -5.914098 2.416592 1.023639
H -7.036034 1.370477 0.112114
H -7.069777 1.351217 1.896886
H 1.149750 -2.005507 2.098630
H 1.516783 2.637510 -0.989741
H 1.559521 -0.951442 -2.082468
H 3.994384 -0.688570 0.292244
H 0.973238 -4.441441 1.470801
H 3.524867 3.778676 -1.921178
H 1.381458 -3.367328 -2.722588
H 6.013184 0.444131 -0.664199
H 2.599739 2.113108 2.060724
H 0.811290 2.090344 2.358958
H 1.936957 1.351988 3.556851
H 1.090366 -5.124139 -0.946424
H 5.785375 2.690154 -1.778442


