%chk=000091405.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091405

0 1
 O   0.4392000      0.2988000      0.6614000    
 O    1.204500      0.1151000      -1.505500    
 N   -3.481400     -0.6667000      0.4613000    
 C   -3.296500      0.7022000      0.9792000    
 C   -2.892200     -0.5856000     -0.8886000    
 C   -3.655900       1.610500     -0.2017000    
 C   -3.386700      0.7553000      -1.442500    
 C   -1.808900      0.8217000       1.365000    
 C   -1.363100     -0.5984000     -0.6952000    
 C  -0.8712000      0.5666000      0.1766000    
 C   -4.882300      -1.080300      0.4432000    
 C    1.388800      9.0200000E-02 -0.2943000    
 C    2.745700     -0.1865000      0.3347000    
 C    3.771900      0.8888000     -6.6399999E-02
 C    3.253000      -1.591200     -3.8699999E-02
 C    3.346500       2.298000      0.3575000    
 C    2.300500      -2.702200      0.4137000    
 C    4.369500       3.338500     -7.1400002E-02
 C    2.818600      -4.074700      1.1800000E-02
 H   -3.911500      0.9103000       1.862000    
 H   -3.178800      -1.427600      -1.528700    
 H   -3.077300       2.540000     -0.2132000    
 H   -4.717200       1.883800     -0.1704000    
 H   -4.319700      0.6217000      -2.002900    
 H   -2.664200       1.228800      -2.115300    
 H   -1.603200       1.817100       1.778200    
 H   -1.579500      0.1148000       2.174300    
 H   -1.057000      -1.554600     -0.2495000    
 H  -0.9172000     -0.5729000      -1.693800    
 H  -0.8274000       1.483800     -0.4257000    
 H   -5.276500      -1.113600       1.464800    
 H   -4.968000      -2.095800      4.0899999E-02
 H   -5.531300     -0.4265000     -0.1483000    
 H    2.630200     -0.1502000       1.426600    
 H    3.917700      0.8704000      -1.154200    
 H    4.741800      0.6535000      0.3893000    
 H    3.388800      -1.656200      -1.125900    
 H    4.238100      -1.754700      0.4160000    
 H    3.225100       2.336500       1.446200    
 H    2.379900       2.559200     -8.6999997E-02
 H    2.177800      -2.665300       1.502300    
 H    1.309100      -2.564600     -3.0500000E-02
 H    5.346600       3.136700      0.3790000    
 H    4.049900       4.336700      0.2441000    
 H    4.487300       3.347600      -1.159700    
 H    2.918300      -4.153400      -1.075600    
 H    2.126700      -4.853900      0.3467000    
 H    3.796500      -4.272000      0.4624000    


%chk=000091405-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091405

0 1
O 0.416760 0.106915 0.569952
O 1.293005 0.250123 -1.589896
N -3.698764 -0.451720 0.704494
C -3.283600 0.984803 0.825895
C -3.118388 -0.811737 -0.631004
C -3.578040 1.616735 -0.586438
C -3.468646 0.402056 -1.570746
C -1.771016 1.002775 1.168823
C -1.588648 -0.980156 -0.441112
C -0.965255 0.350221 0.032770
C -5.162152 -0.662842 0.799251
C 1.461036 0.072389 -0.358169
C 2.800459 -0.206675 0.316154
C 3.785563 0.961926 0.033055
C 3.368263 -1.559342 -0.202256
C 3.336997 2.321414 0.615173
C 2.499793 -2.787231 0.153391
C 4.374784 3.436965 0.366595
C 3.121424 -4.109519 -0.344356
H -3.851823 1.474803 1.635510
H -3.553079 -1.761554 -0.988198
H -2.863119 2.422637 -0.830625
H -4.589995 2.058269 -0.611422
H -4.427067 0.226072 -2.090555
H -2.698476 0.554211 -2.347657
H -1.419178 2.037998 1.336629
H -1.617013 0.428935 2.099702
H -1.419879 -1.754042 0.329606
H -1.110085 -1.303928 -1.383209
H -0.856832 1.035181 -0.828789
H -5.505927 -0.359988 1.804413
H -5.379498 -1.739287 0.680208
H -5.768825 -0.104586 0.045856
H 2.619492 -0.279783 1.405288
H 3.920974 1.053667 -1.062938
H 4.772081 0.689065 0.459946
H 3.489522 -1.494051 -1.302007
H 4.381942 -1.692608 0.227483
H 3.156359 2.214747 1.704045
H 2.368135 2.615247 0.164370
H 2.356886 -2.830344 1.252061
H 1.489291 -2.668196 -0.286656
H 5.347717 3.184900 0.829809
H 4.039954 4.402473 0.788216
H 4.546752 3.582167 -0.716502
H 3.243444 -4.099413 -1.443862
H 2.488850 -4.977360 -0.082273
H 4.120820 -4.272629 0.102173


