%chk=000015129.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015129

0 1
 O  -0.8694000       1.905200     -0.3201000    
 O  -0.4672000       3.940300      0.6963000    
 N    3.051500     -0.6160000      0.9783000    
 C   1.6799999E-02 -0.3438000      0.2983000    
 C   0.6672000      -1.056300       1.558900    
 C  -0.2756000       1.163500      0.7517000    
 C    2.056000     -0.5721000       2.051500    
 C   -1.310100      -1.106200     -1.1200000E-02
 C   0.9653000     -0.2698000     -0.9366000    
 C   -1.142800       1.344900       2.018000    
 C    2.550600      -1.456600       3.200100    
 C   -2.107300     -0.6047000     -0.9940000    
 C   0.9092000      -1.291400      -1.836200    
 C   -1.579400      -2.220800      0.7225000    
 C    1.787800      0.8120000      -1.035600    
 C   -2.516000      0.6963000       1.867800    
 C   -3.292800      -1.285800      -1.270900    
 C    1.757600      -1.225200      -2.941400    
 C   -2.764800      -2.902000      0.4455000    
 C    2.636000      0.8782000      -2.140900    
 C    4.333600     -0.1160000       1.446900    
 C   -1.107900       3.221300     -5.8400001E-02
 C   -3.621400      -2.434400     -0.5511000    
 C    2.620900     -0.1404000      -3.093800    
 C   -2.297800       3.679900     -0.8459000    
 H   0.8627000      -2.104800       1.284700    
 H  -5.7999999E-03  -1.056900       2.424600    
 H   0.6537000       1.661300       1.042200    
 H    1.948900      0.4534000       2.423200    
 H   -1.301300       2.398000       2.266500    
 H  -0.6427000      0.9281000       2.898500    
 H    1.761800      -1.574400       3.952400    
 H    3.407100      -1.021900       3.725200    
 H    2.822900      -2.461400       2.857200    
 H   -1.862600      0.2554000      -1.602900    
 H   0.2761000      -2.164400      -1.731100    
 H  -0.9947000      -2.666300       1.512500    
 H    1.890300       1.629300     -0.3391000    
 H    3.161000      -1.569000      0.6331000    
 H   -2.516700     -0.3621000       2.115900    
 H   -3.172400       1.139200       2.629500    
 H   -3.004000      0.9136000      0.9174000    
 H   -3.954900     -0.9278000      -2.053800    
 H    1.752200      -2.022200      -3.679300    
 H   -3.023100      -3.796400       1.005200    
 H    3.314400       1.718500      -2.257100    
 H    4.855900     -0.8262000       2.094800    
 H    4.981700      4.6599999E-02  0.5790000    
 H    4.240000      0.8490000       1.956400    
 H   -4.543300      -2.966000     -0.7681000    
 H    3.284000     -9.0599999E-02  -3.952400    
 H   -3.183600       3.117000     -0.5418000    
 H   -2.107300       3.550300      -1.914300    
 H   -2.474600       4.741400     -0.6505000    


%chk=000015129-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015129

0 1
O -1.003688 1.794848 -0.011158
O 0.170641 3.682168 0.708988
N 2.925650 0.073635 1.253209
C -0.020962 -0.468807 0.367298
C 0.816662 -1.296600 1.417443
C -0.288878 0.942353 0.998972
C 2.006565 -0.630219 2.165739
C -1.348778 -1.215788 0.027156
C 0.808741 -0.362245 -0.951993
C -1.086265 1.012524 2.326898
C 2.688609 -1.710106 3.058618
C -2.177581 -0.709045 -1.013409
C 0.916603 -1.518353 -1.770669
C -1.776109 -2.398964 0.683438
C 1.499860 0.805148 -1.366914
C -2.621170 0.848363 2.244629
C -3.394466 -1.333243 -1.353349
C 1.682116 -1.515534 -2.957291
C -2.994206 -3.033601 0.341161
C 2.256253 0.817895 -2.560527
C 4.024723 0.840000 1.858228
C -0.679845 3.151808 -0.044062
C -3.816554 -2.500366 -0.673376
C 2.354419 -0.340969 -3.364104
C -1.483821 3.856644 -1.115821
H 1.186219 -2.205927 0.902366
H 0.139612 -1.648432 2.216919
H 0.698800 1.410440 1.167338
H 1.601025 0.145689 2.850436
H -0.861569 2.002027 2.770559
H -0.671901 0.262233 3.026859
H 1.968986 -2.154242 3.772607
H 3.516019 -1.272363 3.645196
H 3.101876 -2.525864 2.434709
H -1.858660 0.186505 -1.552463
H 0.379051 -2.430522 -1.485293
H -1.168763 -2.853906 1.470983
H 1.489270 1.705256 -0.747905
H 3.208468 -0.490067 0.443730
H -2.921567 -0.166434 1.940020
H -3.069056 1.057776 3.233839
H -3.055836 1.556856 1.518223
H -4.013143 -0.911526 -2.154034
H 1.744024 -2.425352 -3.565435
H -3.294384 -3.946019 0.869584
H 2.777090 1.735944 -2.856633
H 4.783580 0.235390 2.409518
H 4.552875 1.403442 1.068161
H 3.608702 1.579693 2.568683
H -4.761718 -2.987964 -0.937576
H 2.943588 -0.328683 -4.288136
H -2.563046 3.687169 -0.959723
H -1.226096 3.443982 -2.107502
H -1.266266 4.934153 -1.096536


