%chk=000002404.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002404

0 1
 O   -1.229100      -2.560000      -2.924400    
 O    2.939600     -0.6926000      -3.224000    
 N   -2.786100     -5.2099999E-02  0.6234000    
 N   -3.189400       4.350800      0.4364000    
 N   0.9176000      -1.819700      -3.411800    
 N    2.507400       2.369600      0.1809000    
 C   -3.183600       2.324600     -0.9288000    
 C   -2.309600       1.197600      -1.502700    
 C   -2.020700      0.1248000     -0.5043000    
 C   -4.355100       1.723900     -0.1372000    
 C   -3.887200      0.8182000       1.001900    
 C   -1.045900     -0.8503000     -0.4980000    
 C   -2.316000      -1.114400       1.365800    
 C   -1.218800      -1.636900      0.6740000    
 C   -2.362500       3.306200     -8.7200001E-02
 C  -4.4799998E-02  -1.014800      -1.506000    
 C   -2.754300      -1.657000       2.583400    
 C    1.185100     -0.4749000      -1.588100    
 C  -0.5375000      -2.747300       1.212300    
 C  -0.2335000      -1.897600      -2.685500    
 C    1.834700      0.4473000     -0.7093000    
 C   -2.062100      -2.756900       3.098100    
 C  -0.9704000      -3.296200       2.423700    
 C    1.824800     -0.9867000      -2.827000    
 C    2.649700      0.1564000      0.4228000    
 C    1.767400       1.818100     -0.8302000    
 C    3.057800       1.378400      0.9617000    
 C    3.079300      -1.034800       1.040700    
 C    3.877400       1.469100       2.092400    
 C    2.675000       3.792200      0.3859000    
 C    3.899500     -0.9595000       2.172400    
 C    4.291200      0.2743000       2.688500    
 H   -3.599300       2.882600      -1.779700    
 H   -1.378400       1.613100      -1.904600    
 H   -2.837700      0.7349000      -2.346800    
 H   -4.960500       1.123100     -0.8301000    
 H   -5.028400       2.495300      0.2524000    
 H   -3.537600       1.412400       1.853500    
 H   -4.716500      0.1858000       1.336600    
 H   -1.573800       3.746400     -0.7089000    
 H   -1.856500       2.795400      0.7389000    
 H   -3.603900      -1.242200       3.115900    
 H   0.3172000      -3.179700      0.6997000    
 H   -3.634500       4.864900     -0.3226000    
 H   -2.619100       5.026500      0.9427000    
 H   -2.382300      -3.196500       4.039200    
 H  -0.4468000      -4.151700       2.842000    
 H    1.079400      -2.319700      -4.278600    
 H    1.253800       2.442100      -1.550400    
 H    2.784900      -2.004700      0.6504000    
 H    4.185900       2.426300       2.499100    
 H    2.122000       4.341600     -0.3803000    
 H    2.286400       4.046100       1.375300    
 H    3.739800       4.027800      0.3145000    
 H    4.234000      -1.875000       2.653100    
 H    4.928500      0.3095000       3.568400    


%chk=000002404-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000002404

0 1
O -0.663500 -3.495295 -2.576538
O 2.685752 -0.481479 -3.856298
N -2.547202 -0.365776 0.856468
N -2.127420 3.929519 1.941200
N 1.082246 -2.182420 -3.485562
N 2.895841 2.621635 -0.935806
C -2.377486 2.365869 0.002934
C -1.663158 1.276047 -0.842741
C -1.642921 -0.073888 -0.169027
C -3.711789 1.812455 0.558768
C -3.484439 0.593209 1.471453
C -0.906898 -1.243212 -0.483766
C -2.400804 -1.709517 1.241571
C -1.396477 -2.298138 0.400125
C -1.445247 2.908319 1.118910
C 0.109574 -1.354681 -1.520781
C -3.066441 -2.429985 2.256063
C 1.150416 -0.490342 -1.875559
C -1.063227 -3.663334 0.591027
C 0.083324 -2.485657 -2.524612
C 1.723725 0.660482 -1.200887
C -2.715318 -3.785630 2.424257
C -1.724973 -4.393003 1.598996
C 1.756553 -0.986154 -3.168904
C 1.783410 0.976683 0.227608
C 2.433097 1.688441 -1.856180
C 2.516937 2.208921 0.355632
C 1.355496 0.319132 1.410439
C 2.797127 2.808869 1.601160
C 3.690750 3.812942 -1.240263
C 1.635399 0.909559 2.660837
C 2.338933 2.143956 2.758382
H -2.615745 3.211988 -0.675173
H -0.630428 1.590486 -1.076599
H -2.180011 1.174119 -1.819567
H -4.370737 1.530537 -0.285457
H -4.213691 2.596345 1.151652
H -3.083625 0.921814 2.450688
H -4.441304 0.073200 1.662572
H -0.507939 3.272491 0.633979
H -1.136522 2.082455 1.785337
H -3.822897 -1.962369 2.895226
H -0.324566 -4.148869 -0.052476
H -2.343271 4.793330 1.431380
H -1.660730 4.128118 2.831227
H -3.211934 -4.380842 3.198750
H -1.480676 -5.450621 1.747982
H 1.290008 -2.763034 -4.297563
H 2.642661 1.782999 -2.918973
H 0.828867 -0.637067 1.357362
H 3.361722 3.744575 1.676163
H 3.839012 3.882652 -2.328983
H 3.177950 4.729280 -0.894931
H 4.682287 3.758411 -0.754478
H 1.312892 0.402894 3.577143
H 2.543895 2.573683 3.745330


