%chk=000091877.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091877

0 1
 O  -0.5060000      0.6541000      -2.019600    
 O    3.015300      9.9799998E-02  0.3564000    
 O    4.189600       1.611300     -0.9205000    
 N   0.6954000       1.183300     -9.7199999E-02
 C   -1.379600     -1.3700000E-02  0.1110000    
 C   -1.962400       1.129800      0.9654000    
 C   -2.521400     -0.6153000     -0.7310000    
 C  -0.6727000      -1.016100       1.048800    
 C   -2.202500      -1.893300      -1.510400    
 C   0.1046000      -2.134100      0.3520000    
 C   -2.097800      -3.118700     -0.6093000    
 C  -0.7166000      -3.364600     -1.4600000E-02
 C  -0.3684000      0.6429000     -0.7991000    
 C   -2.585400       2.190700      4.6599999E-02
 C   -2.961300      0.5567000       1.967000    
 C   -3.134800       3.392500      0.8021000    
 C    1.808500       1.847400     -0.7363000    
 C    3.137400       1.187000     -0.4537000    
 C    4.234300     -0.5822000      0.6699000    
 C    3.923900      -1.757400       1.572200    
 H   -1.181300       1.621400       1.559400    
 H   -2.858200      9.7599998E-02  -1.493300    
 H   -3.404300     -0.8401000     -0.1277000    
 H   -1.396500      -1.518900       1.698500    
 H   1.4200000E-02 -0.5054000       1.734000    
 H   -3.038000      -2.065600      -2.201900    
 H   -1.311000      -1.786000      -2.136600    
 H   0.6235000      -1.758900     -0.5368000    
 H   0.8979000      -2.470600       1.030600    
 H   -2.837200      -3.054100      0.1988000    
 H   -2.373500      -4.009000      -1.188800    
 H  -0.1269000      -3.962000     -0.7220000    
 H  -0.8358000      -3.996800      0.8747000    
 H   -3.428200       1.791100     -0.5254000    
 H   -1.858700       2.581200     -0.6729000    
 H   -2.551800     -0.2108000       2.625100    
 H   -3.276800       1.352700       2.653400    
 H   -3.884100      0.1868000       1.514200    
 H   -3.465600       4.160700      9.4999999E-02
 H   -2.369600       3.836100       1.446900    
 H   -3.998000       3.124000       1.418100    
 H   0.7254000       1.150100      0.9148000    
 H    1.840400       2.865500     -0.3376000    
 H    1.657800       1.875900      -1.819000    
 H    4.913100      0.1075000       1.183700    
 H    4.705500     -0.9367000     -0.2536000    
 H    3.281100      -2.477100       1.056200    
 H    3.385200      -1.429000       2.467100    
 H    4.841700      -2.267900       1.877000    


%chk=000091877-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091877

0 1
O -0.650166 0.860132 -2.080599
O 3.174979 0.186826 0.488982
O 4.268706 1.290748 -1.251045
N 0.741016 0.955070 -0.239475
C -1.521089 -0.068761 0.069785
C -2.078592 1.084467 1.022893
C -2.660544 -0.626531 -0.832976
C -0.853444 -1.184667 0.946829
C -2.351845 -1.884380 -1.685166
C -0.010831 -2.235695 0.173997
C -2.217324 -3.195372 -0.869000
C -0.799888 -3.483516 -0.303199
C -0.453842 0.600018 -0.850857
C -2.767342 2.233172 0.228476
C -3.009200 0.553031 2.142121
C -2.864973 3.556148 1.020381
C 1.836406 1.548428 -1.001484
C 3.215467 1.008201 -0.640344
C 4.482162 -0.399706 0.927593
C 4.189586 -1.272509 2.142788
H -1.187852 1.526279 1.523132
H -2.964486 0.180619 -1.522450
H -3.534080 -0.857690 -0.190787
H -1.648531 -1.706916 1.511877
H -0.221777 -0.701426 1.723002
H -3.192643 -2.001589 -2.397702
H -1.453783 -1.707486 -2.306791
H 0.474112 -1.751301 -0.694407
H 0.821094 -2.579872 0.821214
H -2.951694 -3.161578 -0.037820
H -2.517469 -4.057809 -1.496919
H -0.194087 -3.993286 -1.078931
H -0.895965 -4.202715 0.535520
H -3.782800 1.908291 -0.073864
H -2.211758 2.421685 -0.709606
H -2.486713 -0.132255 2.831706
H -3.391727 1.394565 2.747405
H -3.884447 0.020375 1.727150
H -3.337340 4.346553 0.408494
H -1.859870 3.915295 1.313844
H -3.466439 3.448858 1.941781
H 0.944997 0.641742 0.710246
H 1.880324 2.650861 -0.880211
H 1.643708 1.368995 -2.075518
H 5.173025 0.432090 1.154191
H 4.898617 -0.974081 0.081088
H 3.474807 -2.074336 1.889030
H 3.768788 -0.675279 2.969907
H 5.125146 -1.741890 2.497319


