%chk=000040575.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040575

0 1
 O   -1.268400       2.554700      0.5376000    
 O    3.577400      -1.495100      0.3097000    
 O    3.530200     -0.9248000      -1.903900    
 O   -3.848500      -2.189400       1.202700    
 N    1.826200     -0.2180000     -0.4830000    
 C  -0.6131000       1.352400      9.9900000E-02
 C   0.3392000       1.722000      -1.074900    
 C   0.3261000      0.8579000       1.239300    
 C    1.298000       2.870100     -0.6783000    
 C    1.270300       1.992400       1.707000    
 C    1.113600      0.4814000      -1.553600    
 C    1.135000     -0.3817000      0.8024000    
 C    2.107400       2.604000      0.5876000    
 C   -1.763700      0.4152000     -0.2930000    
 C    3.023400     -0.8837000     -0.7840000    
 C   -2.287900     -0.4715000      0.6452000    
 C   -2.280500      0.4548000      -1.586300    
 C   -2.125300       2.304100       1.641000    
 C   -3.333900      -1.322600      0.2882000    
 C   -3.326300     -0.3962000      -1.943100    
 C   -3.853100      -1.284800      -1.006000    
 C    4.802900      -2.201300      8.4600002E-02
 C    5.268400      -2.809600       1.390400    
 C   -4.917300      -3.030200      0.7707000    
 H  -0.2201000       2.130500      -1.923400    
 H  -0.2089000      0.5463000       2.139500    
 H   0.7109000       3.785500     -0.5290000    
 H    1.984100       3.087200      -1.506300    
 H    1.940800       1.618500       2.490800    
 H   0.6797000       2.787800       2.177800    
 H   0.4373000     -0.2529000      -2.005500    
 H    1.822500      0.7676000      -2.339300    
 H    1.849700     -0.6487000       1.587800    
 H   0.4744000      -1.247900      0.6823000    
 H    2.952300       1.946700      0.3555000    
 H    2.556400       3.541300      0.9377000    
 H   -1.915300     -0.5363000       1.661200    
 H   -1.926000       1.143800      -2.343000    
 H   -1.691800       1.756100       2.476700    
 H   -3.088800       1.889700       1.330800    
 H   -2.373800       3.290300       2.051700    
 H   -3.734500     -0.3622000      -2.949300    
 H   -4.665400      -1.916000      -1.349700    
 H    4.637100      -2.993200     -0.6542000    
 H    5.561200      -1.505200     -0.2905000    
 H    6.204700      -3.358000       1.254800    
 H    5.420300      -2.031200       2.145400    
 H    4.511700      -3.494100       1.787800    
 H   -4.598200      -3.708200     -2.8300000E-02
 H   -5.801000      -2.446400      0.4916000    
 H   -5.203000      -3.654000       1.624000    


%chk=000040575-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040575

0 1
O -1.157990 2.661855 0.440433
O 3.568814 -1.510588 0.393911
O 3.642078 -0.788885 -1.843191
O -3.656625 -2.475783 1.029443
N 1.772824 -0.357467 -0.485980
C -0.584809 1.321363 0.092277
C 0.371361 1.627168 -1.102480
C 0.323459 0.778539 1.241880
C 1.388289 2.739067 -0.719420
C 1.304456 1.891186 1.706246
C 1.038480 0.313745 -1.580563
C 1.066034 -0.519182 0.802369
C 2.202253 2.435837 0.565201
C -1.768488 0.410784 -0.299635
C 3.023557 -0.872146 -0.744090
C -2.203993 -0.668255 0.499484
C -2.528728 0.734000 -1.460328
C -2.102660 2.678778 1.559599
C -3.344788 -1.431030 0.142577
C -3.660140 -0.024202 -1.812161
C -4.081756 -1.120886 -1.023106
C 4.930235 -2.077015 0.191402
C 5.340931 -2.709602 1.518118
C -4.820005 -3.306720 0.711580
H -0.230189 2.003491 -1.951081
H -0.299242 0.493898 2.114022
H 0.818405 3.673935 -0.573937
H 2.078340 2.901523 -1.570888
H 1.933664 1.496849 2.528707
H 0.711785 2.727073 2.122682
H 0.263666 -0.371944 -1.981817
H 1.760155 0.516185 -2.388647
H 1.805467 -0.796368 1.568875
H 0.346517 -1.357111 0.714299
H 3.007197 1.714138 0.342995
H 2.700527 3.364059 0.906940
H -1.693846 -0.951282 1.424774
H -2.248768 1.597368 -2.070786
H -1.621695 2.392507 2.517828
H -2.969225 2.013327 1.379492
H -2.449470 3.722283 1.629833
H -4.231783 0.238149 -2.709628
H -4.962791 -1.699108 -1.316321
H 4.887665 -2.813885 -0.631112
H 5.612101 -1.263222 -0.115625
H 6.349820 -3.151807 1.425039
H 5.365272 -1.955765 2.324001
H 4.636847 -3.508228 1.808962
H -4.693290 -3.822159 -0.260470
H -5.751570 -2.707752 0.694465
H -4.871950 -4.049615 1.520932


