%chk=000023146.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023146

0 1
 O   0.5173000      0.5419000       2.316300    
 O   0.9673000      -1.660500       2.358700    
 N    4.035000       1.177400     -0.3049000    
 C   0.5994000     -0.6101000      0.1521000    
 C   0.1792000      -2.030700     -0.4450000    
 C    2.074300     -0.3034000     -0.3190000    
 C  -0.4309000      0.4601000     -0.3036000    
 C   4.4199999E-02  -2.043700      -1.992100    
 C    2.676800       1.011400      0.2064000    
 C    1.086200      -3.188800      1.2500000E-02
 C   0.6919000     -0.6592000       1.706000    
 C   -1.746300      0.3588000      8.5500002E-02
 C   7.6300003E-02   1.461000      -1.090200    
 C  -0.4149000      -3.385300      -2.554000    
 C   -2.634700       1.365200     -0.3627000    
 C  -0.7973000       2.450900      -1.530600    
 C   -2.236800     -0.6803000      0.8931000    
 C   -2.144300       2.404600      -1.170000    
 C    4.877000      5.2200001E-02  0.1021000    
 C    4.608800       2.439100      0.1634000    
 C   -3.987300       1.302900      9.9999998E-03
 C   -3.583800     -0.7265000       1.253400    
 C   -4.457400      0.2631000      0.8126000    
 H  -0.8009000      -2.340200     -8.8399999E-02
 H    2.159700     -0.3354000      -1.411300    
 H    2.686600      -1.126100      6.0800001E-02
 H  -0.6843000      -1.289700      -2.308300    
 H   0.9960000      -1.789400      -2.468800    
 H    2.111900       1.918500      3.1999999E-03
 H    2.732100      0.9628000       1.301500    
 H   0.6856000      -4.146900     -0.3374000    
 H    2.094100      -3.109500     -0.4052000    
 H    1.162700      -3.331400       1.086300    
 H    1.051000       1.491500      -1.552300    
 H   -1.303800      -3.753300      -2.032200    
 H  -0.6706000      -3.273400      -3.613100    
 H   0.3723000      -4.142500      -2.495700    
 H  -0.4403000       3.240600      -2.185700    
 H   -1.627800      -1.440300       1.362400    
 H   -2.810800       3.184500      -1.532500    
 H   0.6172000      0.4750000       3.289800    
 H    5.929700      0.2652000     -0.1227000    
 H    4.809500     -0.1629000       1.174800    
 H    4.653900     -0.8545000     -0.4687000    
 H    4.000700       3.287800     -0.1691000    
 H    4.688800       2.477800       1.255900    
 H    5.607900       2.589300     -0.2610000    
 H   -4.687800       2.066400     -0.3219000    
 H   -3.947800      -1.523500       1.895600    
 H   -5.504900      0.2293000       1.097700    


%chk=000023146-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023146

0 1
O 0.509164 0.287588 2.488116
O 0.414236 -2.012906 2.534989
N 3.779267 1.316314 -0.245305
C 0.639385 -0.839617 0.320861
C 0.222765 -2.221407 -0.373028
C 2.170561 -0.581502 0.054800
C -0.259403 0.312790 -0.207985
C 0.033286 -2.062405 -1.909776
C 2.798583 0.691992 0.680752
C 1.184195 -3.398494 -0.062227
C 0.497237 -0.963143 1.854359
C -1.675445 0.382909 0.116980
C 0.272335 1.272333 -1.082464
C -0.499868 -3.339519 -2.597150
C -2.484827 1.438911 -0.470289
C -0.528766 2.305618 -1.655634
C -2.344930 -0.540186 0.994806
C -1.885395 2.391184 -1.356936
C 4.976185 0.476697 -0.467018
C 4.148525 2.682008 0.184312
C -3.884052 1.524416 -0.163933
C -3.708872 -0.433220 1.275603
C -4.493692 0.607745 0.691802
H -0.767095 -2.491147 0.046136
H 2.309747 -0.526183 -1.040442
H 2.718945 -1.474005 0.399637
H -0.670978 -1.236079 -2.113180
H 0.997722 -1.773798 -2.376517
H 2.017598 1.438922 0.895760
H 3.269104 0.436984 1.664545
H 0.695368 -4.353914 -0.322353
H 2.115423 -3.335637 -0.656006
H 1.438399 -3.443440 1.008137
H 1.334411 1.251986 -1.345572
H -1.439493 -3.681022 -2.122061
H -0.715704 -3.142999 -3.663505
H 0.224785 -4.171631 -2.551669
H -0.060810 3.028291 -2.333048
H -1.789571 -1.352486 1.469624
H -2.510777 3.179873 -1.792020
H 0.427333 0.145172 3.470986
H 5.634500 0.958547 -1.211980
H 5.571317 0.311297 0.467744
H 4.683122 -0.510590 -0.862827
H 3.238506 3.301560 0.272666
H 4.682775 2.709321 1.168124
H 4.807945 3.144310 -0.572441
H -4.468575 2.332226 -0.620965
H -4.180835 -1.155365 1.951064
H -5.562931 0.681502 0.918226


