%chk=000122190.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122190

0 1
 I    6.134000      0.4100000     -0.3165000    
 O  -6.8000001E-03  -2.189000      0.4125000    
 O  -0.7513000      -1.113600      -1.491600    
 N   -2.826700      0.6857000     -0.6885000    
 C   -2.465900      0.1513000      0.6397000    
 C   -2.401600       2.093000     -0.6000000    
 C  -0.9269000     -4.6799999E-02  0.6673000    
 C  -0.1575000       1.267900      0.3592000    
 C  -0.8637000       2.087800     -0.7512000    
 C   -2.907800       1.250100       1.615300    
 C   -2.852900       2.541100      0.7940000    
 C    1.342000       1.062800      0.1985000    
 C   -4.246800      0.5382000     -0.9957000    
 C  -0.5637000      -1.157200     -0.2833000    
 C    2.149200      0.9302000       1.326000    
 C    1.901600       1.008900      -1.076100    
 C  -0.2171000      -3.490500     -0.1442000    
 C    3.523500      0.7427000       1.178000    
 C    3.275900      0.8213000      -1.223900    
 C    4.086800      0.6882000     -9.6900001E-02
 C   0.4871000      -4.524900      0.7206000    
 C   -1.711400      -3.757300     -0.2432000    
 H   -2.960200     -0.8044000      0.8521000    
 H   -2.832400       2.717400      -1.391000    
 H  -0.6481000     -0.3682000       1.681400    
 H  -0.2472000       1.894600       1.259600    
 H  -0.4880000       3.118900     -0.7343000    
 H  -0.6406000       1.693800      -1.748700    
 H   -2.276100       1.306700       2.507700    
 H   -3.936300       1.075700       1.953000    
 H   -3.853400       2.987900      0.7513000    
 H   -2.182000       3.282800       1.239300    
 H   -4.512000     -0.5240000      -1.039000    
 H   -4.461100      0.9552000      -1.985800    
 H   -4.911200       1.023500     -0.2736000    
 H    1.721800      0.9687000       2.324300    
 H    1.308500       1.089000      -1.979500    
 H   0.2332000      -3.522800      -1.144200    
 H    4.137100      0.6408000       2.069600    
 H    3.694200      0.7778000      -2.226300    
 H   0.3676000      -5.533700      0.3145000    
 H    1.556700      -4.299200      0.7890000    
 H   9.6799999E-02  -4.508700       1.744200    
 H   -1.903200      -4.787900     -0.5598000    
 H   -2.207400      -3.100200     -0.9636000    
 H   -2.201900      -3.595800      0.7233000    


%chk=000122190-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000122190

0 1
I 6.432735 1.090678 -0.256085
O -0.750898 -2.378918 0.589689
O 0.076258 -1.185695 -1.234552
N -2.772476 0.409495 -0.435056
C -2.252075 0.151363 0.941874
C -2.384057 1.844680 -0.634261
C -0.697572 -0.001392 0.824091
C -0.067801 1.341362 0.322220
C -0.856590 1.883858 -0.900086
C -2.661685 1.415777 1.782012
C -2.774817 2.556156 0.714112
C 1.451491 1.277863 0.143883
C -4.218720 0.138191 -0.594640
C -0.402363 -1.198385 -0.078860
C 2.284202 1.429527 1.283169
C 2.077471 1.075013 -1.111350
C -0.593524 -3.669445 -0.176303
C 3.693562 1.375368 1.189508
C 3.484170 1.025572 -1.229984
C 4.282425 1.173160 -0.076481
C -0.422581 -4.754207 0.889168
C -1.821583 -3.860808 -1.078021
H -2.670884 -0.785884 1.343579
H -2.921794 2.261089 -1.504053
H -0.299397 -0.245428 1.828382
H -0.237008 2.053917 1.155827
H -0.532964 2.920001 -1.118132
H -0.660836 1.261847 -1.789653
H -1.927657 1.645975 2.575030
H -3.631614 1.237646 2.279274
H -3.805951 2.948243 0.661575
H -2.109515 3.410385 0.933015
H -4.406330 -0.934908 -0.411708
H -4.513535 0.359205 -1.635838
H -4.884360 0.725200 0.083341
H 1.830048 1.601828 2.267855
H 1.469294 0.930017 -2.007288
H 0.316360 -3.564421 -0.796380
H 4.312237 1.496070 2.083577
H 3.943873 0.865363 -2.209246
H -0.278010 -5.737672 0.406193
H 0.454675 -4.544741 1.524706
H -1.316679 -4.811285 1.535020
H -1.723794 -4.799366 -1.654211
H -1.914033 -3.024325 -1.790559
H -2.742899 -3.920168 -0.470852


