%chk=000052881.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052881

0 1
 O   0.5522000     -0.7440000      -2.310600    
 O  -0.3593000      -3.613100       1.147000    
 N  -0.2915000      -1.279800       1.016100    
 N   0.1488000      -2.468900     -0.8125000    
 C  -2.5000000E-02 -0.2650000      1.7100001E-02
 C   -1.257900      0.6009000     -0.2348000    
 C    1.205700      0.5625000      0.3836000    
 C   -2.482400     -0.2739000     -0.5359000    
 C   -1.526300       1.523100      0.9621000    
 C    2.377300     -0.3506000      0.7693000    
 C    1.596200       1.494000     -0.7718000    
 C   0.2651000      -1.154200      -1.194100    
 C   -3.740200      0.5675000     -0.7391000    
 C   -2.786000       2.361500      0.7566000    
 C    3.636200      0.4525000       1.088900    
 C    2.856500       2.293800     -0.4498000    
 C   -3.999000       1.489000      0.4489000    
 C    4.016200       1.383300     -5.8300000E-02
 C  -0.1864000      -2.578600      0.5175000    
 H   -1.101200       1.226500      -1.123200    
 H    1.013400       1.165400       1.278500    
 H   -2.682400     -0.9739000      0.2842000    
 H   -2.326200     -0.8731000      -1.440100    
 H  -0.7086000       2.233400       1.115000    
 H   -1.634100      0.9435000       1.886600    
 H    2.618800      -1.047900     -4.1800000E-02
 H    2.135000     -0.9537000       1.651800    
 H   0.7989000       2.208900     -0.9965000    
 H    1.819600      0.9531000      -1.692300    
 H  -0.5227000      -1.076300       1.983500    
 H   -4.603900     -9.0099998E-02 -0.8897000    
 H   -3.634100       1.168200      -1.650800    
 H   -2.625100       3.066100     -6.8899997E-02
 H   -2.981400       2.960400       1.653400    
 H    4.466700     -0.2314000       1.298400    
 H    3.472000       1.042700       1.998900    
 H    2.645900       2.990100      0.3715000    
 H    3.141500       2.901200      -1.316500    
 H   -4.867300       2.124300      0.2408000    
 H   -4.247600      0.8861000       1.330900    
 H    4.880900       1.991200      0.2310000    
 H    4.321100      0.7865000     -0.9268000    
 H   0.2923000      -3.258100      -1.432000    


%chk=000052881-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052881

0 1
O 0.430666 -0.963042 -2.333574
O -0.338231 -3.682488 1.440340
N -0.274096 -1.316006 1.149720
N 0.098644 -2.591053 -0.646657
C -0.027266 -0.333852 0.064061
C -1.292113 0.560400 -0.208740
C 1.282776 0.493827 0.370329
C -2.549946 -0.288744 -0.536105
C -1.590616 1.530978 0.963900
C 2.524751 -0.426334 0.525647
C 1.582143 1.612467 -0.664081
C 0.202593 -1.289362 -1.142436
C -3.776986 0.605705 -0.834779
C -2.819169 2.425195 0.664979
C 3.774452 0.380249 0.946880
C 2.845436 2.416042 -0.266234
C -4.068213 1.578060 0.331041
C 4.078292 1.503102 -0.071691
C -0.194271 -2.640933 0.755543
H -1.054047 1.158746 -1.111246
H 1.111823 0.982068 1.356291
H -2.780049 -0.951504 0.322525
H -2.351924 -0.941307 -1.407980
H -0.714076 2.171471 1.175581
H -1.795325 0.944486 1.885554
H 2.734633 -0.922963 -0.443925
H 2.322582 -1.223473 1.265713
H 0.726630 2.308746 -0.749143
H 1.721373 1.153083 -1.661393
H -0.453537 -1.062326 2.119005
H -4.661127 -0.029790 -1.034584
H -3.587927 1.189423 -1.759323
H -2.585572 3.084756 -0.196395
H -3.020491 3.086780 1.529560
H 4.643847 -0.297984 1.044044
H 3.605016 0.828909 1.948213
H 2.647777 2.963119 0.679912
H 3.053503 3.181531 -1.038591
H -4.921007 2.236826 0.077613
H -4.367150 0.996308 1.227647
H 4.948207 2.101912 0.260858
H 4.353562 1.046878 -1.044797
H 0.206135 -3.436801 -1.207182


