%chk=000166550.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166550

0 1
 O    6.219000      0.3979000      -1.043700    
 N  -0.1659000      -1.407400      0.6023000    
 N   -7.303800       1.350500      -1.165000    
 C   0.7680000      -1.936000     -0.4048000    
 C    1.498500     -0.8895000      -1.273900    
 C   0.4084000     -0.5229000       1.619800    
 C   0.9935000      0.8079000       1.132800    
 C   -1.385900     -0.8619000      9.9999998E-03
 C    2.609600     -0.1286000     -0.5930000    
 C    2.372000      0.6708000      0.5387000    
 C    1.737500      -2.950200      0.2216000    
 C   -2.480300     -0.6868000       1.065800    
 C    3.911900     -0.2065000      -1.116200    
 C    3.441800       1.372300       1.120400    
 C   -3.752200     -0.1497000      0.4784000    
 C    4.964600      0.4905000     -0.5249000    
 C    4.729400       1.280500      0.5939000    
 C   -3.954800       1.224200      0.4152000    
 C   -4.716100      -1.031000      1.6000000E-03
 C   -5.136900       1.723600     -0.1317000    
 C   -5.898300     -0.5318000     -0.5455000    
 C   -6.108600      0.8457000     -0.6122000    
 C    7.248700       1.138500     -0.3897000    
 H   0.1671000      -2.535900      -1.103500    
 H   0.7883000     -0.1673000      -1.695200    
 H    1.908500      -1.416600      -2.146600    
 H    1.187900      -1.074200       2.162300    
 H  -0.3194000     -0.3163000       2.409500    
 H    1.044800       1.477600       2.001800    
 H   0.3372000       1.319700      0.4207000    
 H   -1.205300      8.2300000E-02 -0.5161000    
 H   -1.769100      -1.559100     -0.7473000    
 H    2.433100      -2.493700      0.9319000    
 H    1.186200      -3.735800      0.7508000    
 H    2.333100      -3.438300     -0.5580000    
 H   -2.187600      8.1000002E-03   1.859400    
 H   -2.681500      -1.643700       1.565900    
 H    4.110800     -0.8187000      -1.993400    
 H    3.277400       1.998400       1.994600    
 H    5.497400       1.851500       1.104300    
 H   -3.203700       1.917700      0.7834000    
 H   -4.561700      -2.105500      4.6700001E-02
 H   -5.288700       2.799000     -0.1787000    
 H   -6.647600      -1.226200     -0.9169000    
 H    7.062900       2.216600     -0.4403000    
 H    8.179300      0.9484000     -0.9344000    
 H    7.402900      0.7918000      0.6378000    
 H   -8.008400      0.7143000      -1.514000    
 H   -7.456600       2.349000      -1.214300    


%chk=000166550-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166550

0 1
O 6.335925 0.204227 -1.172386
N -0.165599 -1.187905 0.684873
N -7.482290 1.245340 -1.318919
C 0.756098 -1.782515 -0.323203
C 1.513944 -0.735955 -1.220525
C 0.458614 -0.344808 1.729173
C 1.144776 0.974058 1.238518
C -1.424961 -0.638878 0.133557
C 2.692954 -0.034870 -0.558059
C 2.516618 0.777662 0.607310
C 1.725630 -2.796488 0.319694
C -2.639339 -0.844704 1.086863
C 3.983756 -0.187766 -1.104361
C 3.651822 1.401938 1.170258
C -3.928718 -0.304651 0.489153
C 5.110325 0.445257 -0.523471
C 4.950083 1.250843 0.626302
C -4.258752 1.073386 0.571191
C -4.824856 -1.146936 -0.218058
C -5.426292 1.594405 -0.021012
C -5.998235 -0.646378 -0.817397
C -6.318756 0.738950 -0.729597
C 7.526602 0.842245 -0.610660
H 0.097921 -2.351362 -1.011691
H 0.770324 0.013871 -1.563145
H 1.872429 -1.260605 -2.127160
H 1.199447 -0.947757 2.286383
H -0.333188 -0.076185 2.453632
H 1.243359 1.655410 2.105960
H 0.460250 1.478120 0.523986
H -1.362250 0.447465 -0.121020
H -1.644677 -1.162623 -0.816091
H 2.449716 -2.309915 0.996036
H 1.155115 -3.546050 0.894901
H 2.309025 -3.316078 -0.462923
H -2.430344 -0.345530 2.052956
H -2.721751 -1.926906 1.296280
H 4.142119 -0.804142 -1.995955
H 3.524285 2.028842 2.061633
H 5.799379 1.754600 1.097239
H -3.592242 1.752887 1.118679
H -4.602917 -2.219166 -0.296013
H -5.655831 2.664134 0.065829
H -6.674308 -1.326252 -1.351420
H 7.440699 1.946705 -0.630272
H 8.357348 0.524131 -1.257924
H 7.713578 0.505775 0.428277
H -8.118875 0.634841 -1.821667
H -7.710563 2.232534 -1.255454


