%chk=000149895.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149895

0 1
 O   -2.511800       2.393300     -0.6663000    
 O   -3.840000      -2.603600      0.6872000    
 O    2.153200      0.7689000      -1.688600    
 N    6.282700      0.3624000      0.2434000    
 N    2.883200     -0.9899000     -0.3655000    
 C    4.870500      0.1575000      0.4662000    
 C    4.297700     -0.7861000     -0.5813000    
 C    6.839900       1.311900       1.215800    
 C    7.018800     -0.9069000      0.3117000    
 C   -1.791300      0.1848000     -0.3178000    
 C   -2.138700      -1.121200      3.4400001E-02
 C   0.5102000     -0.5071000     -0.6066000    
 C   -4.212100      0.9113000     -1.1600000E-02
 C   -4.559500     -0.3944000      0.3407000    
 C  -0.4636000      0.4915000     -0.6390000    
 C   -2.815400       1.248500     -0.3545000    
 C   -3.535500      -1.458500      0.3766000    
 C    1.889400     -0.1891000     -0.9404000    
 C   -1.158400      -2.120400      6.5200001E-02
 C    6.086100       2.626300       1.152900    
 C    8.484300     -0.6785000     -4.9999999E-03
 C   0.1635000      -1.810300     -0.2553000    
 C   -5.192200       1.910900     -4.1000001E-02
 C   -5.886900     -0.7009000      0.6635000    
 C   -6.513600       1.601400      0.2820000    
 C   -6.860300      0.2983000      0.6332000    
 H    4.670600     -0.2350000       1.472600    
 H    4.304100       1.090300      0.3726000    
 H    4.716200      -1.793600     -0.5282000    
 H    4.452800     -0.3949000      -1.593200    
 H    7.879600       1.554000      0.9747000    
 H    6.813800      0.9162000       2.238700    
 H    6.678000      -1.609600     -0.4528000    
 H    6.912400      -1.394800       1.288500    
 H    2.631000      -1.716300      0.2962000    
 H  -0.1872000       1.507900     -0.9091000    
 H   -1.405200      -3.145300      0.3293000    
 H    5.955900       2.977600      0.1234000    
 H    5.108400       2.575300       1.642400    
 H    6.654400       3.397300       1.686200    
 H    8.619500     -6.4099997E-02 -0.9021000    
 H    9.028900     -0.2218000      0.8271000    
 H    8.971000      -1.641900     -0.1973000    
 H   0.8841000      -2.622900     -0.2491000    
 H   -4.947500       2.934400     -0.3117000    
 H   -6.182800      -1.709000      0.9409000    
 H   -7.273300       2.377300      0.2592000    
 H   -7.889900      5.9900001E-02  0.8841000    


%chk=000149895-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149895

0 1
O -2.422989 2.479126 0.467547
O -4.072563 -2.720300 -0.394422
O 2.264371 1.171642 -0.883873
N 6.348173 0.213767 0.568722
N 2.895980 -1.027972 -0.469730
C 4.905500 -0.072938 0.720474
C 4.336435 -0.726136 -0.568353
C 6.725460 1.611403 0.902201
C 7.229398 -0.826848 1.155333
C -1.823959 0.207838 -0.094691
C -2.255654 -1.134375 -0.314430
C 0.499278 -0.461617 -0.530529
C -4.245895 0.899691 0.365015
C -4.673449 -0.443657 0.145920
C -0.453725 0.532069 -0.212154
C -2.803406 1.284385 0.260660
C -3.696712 -1.519772 -0.201686
C 1.945405 -0.036753 -0.643695
C -1.303415 -2.124304 -0.657561
C 6.217518 2.623277 -0.143417
C 8.614731 -0.904361 0.483930
C 0.059545 -1.794303 -0.765403
C -5.200424 1.894558 0.691488
C -6.047786 -0.770234 0.258048
C -6.565245 1.561433 0.800098
C -6.989984 0.225473 0.583196
H 4.703818 -0.734107 1.594913
H 4.348207 0.864853 0.892556
H 4.880013 -1.660604 -0.796551
H 4.490389 -0.022883 -1.403371
H 7.828555 1.665203 0.942351
H 6.355900 1.902103 1.918233
H 6.723224 -1.802688 1.023116
H 7.355454 -0.685846 2.259775
H 2.606892 -1.954352 -0.154282
H -0.126882 1.565571 -0.061168
H -1.661482 -3.142200 -0.840562
H 6.652956 2.398249 -1.132821
H 5.117213 2.594377 -0.243606
H 6.503603 3.652332 0.144175
H 8.501508 -1.080775 -0.599996
H 9.191568 0.028092 0.618230
H 9.208849 -1.728937 0.920482
H 0.771416 -2.569667 -1.070921
H -4.844732 2.916899 0.853818
H -6.347828 -1.808598 0.085272
H -7.299045 2.334346 1.051929
H -8.051183 -0.031360 0.668039


