%chk=000015174.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015174

0 1
 O  -0.6667000       2.456600      -2.067100    
 N    2.818600     -0.3841000      0.1446000    
 N   -2.368400       2.994500     -0.6388000    
 C  -0.5056000       1.627900      0.2364000    
 C   0.8310000      0.9934000     -0.2771000    
 C    1.590900      0.1373000      0.7447000    
 C    3.701400      0.7189000     -0.2605000    
 C    3.499400      -1.294900       1.075700    
 C    4.968900      0.1919000     -0.9348000    
 C    4.760400      -1.887800      0.4447000    
 C    5.706700     -0.7938000     -3.5799999E-02
 C   -1.456700      0.5207000      0.7227000    
 C  -0.1647000       2.697200       1.303100    
 C   -1.167600       2.387900     -0.9452000    
 C   -1.860000     -0.4872000     -0.1346000    
 C   -1.860300      0.6118000       2.036100    
 C   -2.735600      -1.475900      0.3738000    
 C   -2.721100     -0.3607000       2.535900    
 C   -1.438700     -0.5649000      -1.472000    
 C   -3.156900      -1.398400       1.711400    
 C   -3.164300      -2.513300     -0.4703000    
 C   -1.874700      -1.602500      -2.296500    
 C   -2.735900      -2.574800      -1.796600    
 H    1.440100       1.868900     -0.5353000    
 H   0.7873000      0.4443000      -1.215100    
 H    1.819000      0.7142000       1.648000    
 H   0.9604000     -0.7070000       1.044800    
 H    3.970900       1.346100      0.5993000    
 H    3.243200       1.363900      -1.013900    
 H    2.831100      -2.122800       1.342000    
 H    3.763400     -0.7763000       2.006900    
 H    5.631300       1.028400      -1.185600    
 H    4.706000     -0.3021000      -1.879100    
 H    4.481300      -2.527800     -0.4020000    
 H    5.273200      -2.526700       1.172600    
 H    6.551000      -1.236500     -0.5756000    
 H    6.120100     -0.2612000      0.8294000    
 H   0.4932000       3.465000      0.8755000    
 H   -1.047400       3.235500       1.667900    
 H   0.3588000       2.282900       2.170900    
 H   -1.561400       1.385200       2.730800    
 H   -3.054700     -0.3137000       3.568600    
 H  -0.8517000      0.1631000      -1.999100    
 H   -3.829700      -2.147700       2.123400    
 H   -2.797700       2.932800      0.2784000    
 H   -2.878100       3.519100      -1.341900    
 H   -3.838300      -3.283600     -0.1011000    
 H   -1.558200      -1.642300      -3.335000    
 H   -3.078600      -3.379700      -2.440200    


%chk=000015174-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000015174

0 1
O -0.550770 3.106927 -1.840174
N 2.891803 -0.174753 0.273574
N -2.570005 2.721549 -0.777700
C -0.519232 1.736298 0.243250
C 0.873928 1.228979 -0.266083
C 1.755619 0.601049 0.834625
C 3.905143 0.687068 -0.388368
C 3.516682 -1.035380 1.311211
C 5.018030 -0.157938 -1.043445
C 4.607850 -1.940359 0.705450
C 5.684822 -1.092213 -0.007976
C -1.401930 0.558013 0.719563
C -0.287109 2.811751 1.354310
C -1.204702 2.554347 -0.905295
C -1.882155 -0.457413 -0.209388
C -1.720811 0.414806 2.079470
C -2.643718 -1.583808 0.304764
C -2.475890 -0.690608 2.578531
C -1.658336 -0.405366 -1.629760
C -2.924445 -1.679156 1.707365
C -3.120563 -2.594586 -0.595267
C -2.139538 -1.401321 -2.482169
C -2.873701 -2.512834 -1.965262
H 1.370746 2.090775 -0.746241
H 0.739559 0.462038 -1.048117
H 2.123099 1.391913 1.539409
H 1.141730 -0.103539 1.428707
H 4.368450 1.395261 0.352844
H 3.401892 1.300460 -1.156115
H 2.722469 -1.654256 1.769953
H 3.971829 -0.414917 2.131161
H 5.767012 0.516477 -1.502103
H 4.571318 -0.764303 -1.854898
H 4.134615 -2.626550 -0.023277
H 5.060952 -2.557594 1.505379
H 6.433502 -1.743696 -0.497539
H 6.228106 -0.480827 0.742550
H 0.315862 3.635171 0.933444
H -1.239100 3.236737 1.719370
H 0.265245 2.398349 2.214639
H -1.378616 1.164163 2.798201
H -2.691026 -0.753892 3.650798
H -1.111464 0.432748 -2.068769
H -3.497913 -2.537558 2.077015
H -3.103684 2.205156 -0.079027
H -3.058990 3.289387 -1.469062
H -3.688856 -3.436512 -0.181687
H -1.951689 -1.328697 -3.558916
H -3.241419 -3.289548 -2.644543


