%chk=000018551.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018551

0 1
 O   0.8136000       1.397800     -0.3649000    
 O   -1.139700      0.5043000      -1.952000    
 O  -0.9871000       2.451900      0.6020000    
 N    3.556100      0.8894000      0.2022000    
 C    3.084600       2.148600     -0.3732000    
 C    4.671900      0.3567000     -0.5786000    
 C   -1.309700      0.3078000     -0.5334000    
 C    3.953500       1.081800       1.596400    
 C    1.664100       2.446900      7.9099998E-02
 C    4.158200     -0.2984000      -1.858200    
 C  -0.6798000      -1.024000     -0.1194000    
 C   -2.795700      0.3457000     -0.1680000    
 C  -0.5150000       1.517400     -3.4699999E-02
 C    4.388700     -0.2290000       2.229200    
 C    3.191100      -1.431100      -1.550700    
 C  -0.6700000      -2.097600      -1.010000    
 C   -3.190200      0.2101000       1.163100    
 C  -0.1149000      -1.164400       1.148400    
 C   -3.755300      0.5163000      -1.166000    
 C  -9.5600002E-02  -3.311500     -0.6329000    
 C   -4.544300      0.2448000       1.496200    
 C   0.4595000      -2.378400       1.525300    
 C   -5.109400      0.5512000     -0.8327000    
 C   0.4690000      -3.451900      0.6346000    
 C   -5.503700      0.4154000      0.4985000    
 H    3.749300       2.984300     -0.1199000    
 H    3.054800       2.097200      -1.466700    
 H    5.232200     -0.4250000     -5.9000000E-02
 H    5.400900       1.141100     -0.8209000    
 H    4.759800       1.819900       1.694300    
 H    3.106200       1.449500       2.184300    
 H    1.337300       3.386500     -0.3830000    
 H    1.588300       2.561200       1.165300    
 H    3.685200      0.4174000      -2.537300    
 H    5.016000     -0.7105000      -2.404100    
 H    3.712100      -1.052000       1.973800    
 H    5.412600     -0.5100000       1.966100    
 H    4.373100     -0.1268000       3.320500    
 H    3.636000      -2.161900     -0.8676000    
 H    2.266800      -1.056500      -1.105600    
 H    2.922600      -1.954700      -2.473900    
 H   -1.113900      -2.017100      -1.998400    
 H   -2.466900      9.6299998E-02   1.963900    
 H  -0.1060000     -0.3449000       1.861300    
 H   -3.487900      0.6239000      -2.212700    
 H  -0.2265000      0.2689000      -2.192000    
 H  -8.9699998E-02  -4.148000      -1.325500    
 H   -4.851500      0.1438000       2.533100    
 H   0.9010000      -2.487300       2.511500    
 H   -5.857000      0.6838000      -1.609200    
 H   0.9169000      -4.396800      0.9280000    
 H   -6.557900      0.4437000      0.7580000    


%chk=000018551-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018551

0 1
O 0.926845 1.035888 0.375154
O -0.299978 -0.479229 -1.282169
O -0.818396 1.269863 1.897005
N 3.892984 1.393686 -0.020332
C 2.895679 2.459158 0.221919
C 4.419134 1.380185 -1.410362
C -1.019713 -0.342782 -0.014958
C 4.935410 1.328335 1.037018
C 1.751673 2.018511 1.137101
C 3.432412 0.745662 -2.419122
C -1.000768 -1.698252 0.750242
C -2.463317 0.095400 -0.355879
C -0.340717 0.745780 0.868304
C 5.590097 -0.060127 1.162000
C 3.199123 -0.756474 -2.154443
C -0.945512 -2.885076 -0.023282
C -3.465602 0.127024 0.644323
C -1.077319 -1.795839 2.161931
C -2.787173 0.481271 -1.678417
C -0.966136 -4.148841 0.604123
C -4.775845 0.543331 0.324166
C -1.092937 -3.063919 2.787397
C -4.101828 0.891181 -1.997238
C -1.039226 -4.244436 2.013555
C -5.100553 0.925968 -0.998218
H 3.358464 3.370739 0.676545
H 2.458130 2.778011 -0.740819
H 5.352631 0.787595 -1.416132
H 4.695167 2.409376 -1.752486
H 5.725034 2.108197 0.883011
H 4.448064 1.569512 2.001533
H 1.102028 2.865156 1.425616
H 2.114611 1.516369 2.051544
H 2.465501 1.285653 -2.381680
H 3.833887 0.895811 -3.441628
H 4.821224 -0.826562 1.361904
H 6.126850 -0.349613 0.240903
H 6.322452 -0.065832 1.990619
H 4.124405 -1.338419 -2.326553
H 2.903160 -0.911040 -1.100463
H 2.414638 -1.169559 -2.815111
H -0.880476 -2.798804 -1.111914
H -3.227780 -0.171427 1.669308
H -1.120709 -0.890490 2.776777
H -2.006195 0.445190 -2.441608
H 0.666541 -0.333517 -1.104297
H -0.925175 -5.058329 -0.006123
H -5.543079 0.565868 1.106240
H -1.147521 -3.126016 3.880253
H -4.343878 1.182586 -3.025816
H -1.053118 -5.225829 2.500998
H -6.119493 1.244906 -1.245843


