%chk=000040771.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040771

0 1
 O    2.399600      -1.490800     -0.3230000    
 O   4.4199999E-02   2.310400      0.8748000    
 O   -2.018800      -1.418300      -1.052600    
 N    1.239000      0.4884000      9.0300001E-02
 N   -1.147800      0.4933000     -1.1700000E-02
 C    2.466200       1.247200      0.1118000    
 C    3.349400      0.8161000       1.285700    
 C    3.205500       1.109500      -1.221300    
 C    4.677500       1.568500       1.295900    
 C    4.534600       1.860200      -1.207800    
 C   4.4700000E-02  -1.645200      0.1693000    
 C    5.411700       1.431600     -3.4899998E-02
 C    1.347000     -0.9005000     -7.8800000E-02
 C   3.6499999E-02   1.195100      0.3435000    
 C   -1.155000     -0.8712000     -0.3653000    
 C  -0.1291000      -1.839000       1.686300    
 C   0.1112000      -3.031700     -0.4951000    
 C   -2.399100       1.218800     -7.5099997E-02
 C   -1.337900      -2.663900       1.980100    
 C   0.3223000      -2.904400      -1.967300    
 C   -3.594600      0.5462000      0.1473000    
 C   -2.390600       2.579400     -0.3570000    
 C   -1.296800      -3.841100       2.614000    
 C  -0.5219000      -3.392800      -2.882800    
 C   -4.800200       1.245100      8.6700000E-02
 C   -3.596300       3.278200     -0.4175000    
 C   -4.801100       2.611000     -0.1957000    
 H    2.243600       2.313900      0.2404000    
 H    2.822500       1.002800       2.230100    
 H    3.574000     -0.2550000       1.274900    
 H    3.427200      7.6899998E-02  -1.499300    
 H    2.577900       1.506500      -2.029600    
 H    4.493300       2.630000       1.503200    
 H    5.309900       1.191300       2.107500    
 H    5.066900       1.687800      -2.150100    
 H    4.343100       2.938500      -1.144200    
 H    6.324700       2.037300     -1.6400000E-02
 H    5.722000      0.3887000     -0.1741000    
 H   0.7724000      -2.303400       2.108800    
 H  -0.2375000     -0.8796000       2.206900    
 H   0.9408000      -3.620400     -8.1400000E-02
 H  -0.7992000      -3.617500     -0.3188000    
 H   -2.311500      -2.271000       1.701100    
 H    1.225900      -2.425900      -2.333300    
 H   -3.640000     -0.5027000      0.4211000    
 H   -1.490600       3.131500     -0.6056000    
 H   -2.211400      -4.387300       2.817800    
 H  -0.3593000      -4.280200       2.936800    
 H  -0.3060000      -3.286200      -3.940400    
 H   -1.435800      -3.903700      -2.600900    
 H   -5.737800      0.7286000      0.2703000    
 H   -3.599200       4.338700     -0.6525000    
 H   -5.739900       3.155000     -0.2438000    


%chk=000040771-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040771

0 1
O 2.375743 -1.620933 -0.096127
O 0.036954 2.406997 0.288421
O -2.412138 -1.506335 -0.365498
N 1.235587 0.396682 0.157253
N -1.189617 0.444898 -0.015706
C 2.523266 1.185344 0.259171
C 3.355925 0.773478 1.496158
C 3.345723 1.127667 -1.051616
C 4.605964 1.682932 1.607234
C 4.597230 2.031723 -0.921104
C -0.037600 -1.787176 0.131750
C 5.449204 1.640873 0.310071
C 1.280647 -1.004750 0.024105
C 0.031283 1.156772 0.161116
C -1.302230 -0.966192 -0.128095
C -0.090964 -2.291515 1.644159
C -0.005856 -3.011584 -0.838304
C -2.409105 1.245864 -0.136362
C -1.225362 -3.245462 1.949789
C 0.212662 -2.621329 -2.286826
C -2.922677 1.910427 0.996307
C -3.059295 1.327309 -1.385226
C -1.046428 -4.477310 2.488969
C -0.734435 -2.699130 -3.255408
C -4.103271 2.674782 0.873398
C -4.242786 2.088477 -1.499797
C -4.765399 2.764155 -0.372949
H 2.185347 2.227037 0.404628
H 2.735426 0.863850 2.408919
H 3.672818 -0.280126 1.403091
H 3.655507 0.086563 -1.250218
H 2.717349 1.463952 -1.898766
H 4.289477 2.728497 1.803064
H 5.217170 1.365658 2.473704
H 5.201376 1.960616 -1.845661
H 4.281017 3.091151 -0.825227
H 6.319828 2.318584 0.400769
H 5.849517 0.616397 0.167404
H 0.879918 -2.779032 1.849624
H -0.162650 -1.400178 2.302449
H 0.814521 -3.671392 -0.500396
H -0.959983 -3.550297 -0.721459
H -2.241158 -2.890408 1.729439
H 1.221923 -2.264461 -2.542086
H -2.399280 1.842159 1.955159
H -2.650760 0.793005 -2.248622
H -1.897252 -5.126214 2.724589
H -0.046903 -4.871554 2.712619
H -0.519511 -2.413090 -4.291750
H -1.749871 -3.050195 -3.034540
H -4.503408 3.199064 1.747748
H -4.754723 2.152242 -2.465872
H -5.682520 3.356210 -0.465191


