%chk=000057255.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057255

0 1
 O   -1.461200      -2.227200     -0.8555000    
 O    3.118900     -0.9580000       1.280000    
 N   0.7827000     -0.5262000     -7.7900000E-02
 N    4.302600      0.4661000     -0.1148000    
 C   -2.657800       1.023600     -0.2608000    
 C   -2.780200     -0.4521000      0.2159000    
 C   -1.175000       1.119300      0.2139000    
 C  -0.4719000     -1.2200000E-02 -0.5902000    
 C   -2.354200     -0.3979000       1.700800    
 C   -1.280600      0.7118000       1.709700    
 C   -1.556100      -1.069000     -0.4780000    
 C   -3.605500       2.015900      0.4433000    
 C   -2.868100       1.226400      -1.775900    
 C   -4.080300      -1.172500     -4.9699999E-02
 C    1.828200      0.5020000     -0.1237000    
 C    1.211200      -1.709600     -0.8317000    
 C    3.125700     -7.2800003E-02  0.4201000    
 C    5.629400      2.0700000E-02  0.3049000    
 C    4.292200       1.511900      -1.130500    
 H  -0.7141000       2.100400      7.1900003E-02
 H  -0.3762000      0.2831000      -1.642100    
 H   -1.934100      -1.349400       2.047200    
 H   -3.186600     -0.1390000       2.363700    
 H   -1.602100       1.556800       2.327700    
 H  -0.3351000      0.3563000       2.129900    
 H   -3.612700       1.940200       1.532700    
 H   -3.327900       3.046700      0.1948000    
 H   -4.640500       1.861900      0.1172000    
 H   -2.477400       2.201200      -2.088600    
 H   -2.394700      0.4636000      -2.399900    
 H   -3.935000       1.199000      -2.027100    
 H   -4.043500      -2.198700      0.3325000    
 H   -4.922600     -0.6663000      0.4320000    
 H   -4.289200      -1.236300      -1.122700    
 H    1.571900       1.358500      0.5092000    
 H    1.936000      0.8450000      -1.156200    
 H    2.278700      -1.941600     -0.7696000    
 H   0.9950000      -1.620100      -1.903700    
 H   0.7350000      -2.612200     -0.4372000    
 H    5.557700     -0.7858000       1.038800    
 H    6.174400     -0.3395000     -0.5723000    
 H    6.160200      0.8654000      0.7531000    
 H    5.273300       1.993100      -1.189900    
 H    4.055400       1.058300      -2.097200    
 H    3.552600       2.279100     -0.8864000    


%chk=000057255-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057255

0 1
O -1.913452 -2.382699 -0.965166
O 3.158122 -1.201848 1.023766
N 0.743908 -0.805885 -0.411985
N 4.198261 0.648131 0.072080
C -2.593354 1.034313 -0.294676
C -2.801997 -0.423277 0.282456
C -1.036370 1.022557 -0.047178
C -0.567267 -0.248117 -0.833749
C -2.093331 -0.323297 1.691708
C -0.922298 0.695392 1.472191
C -1.779323 -1.203764 -0.559410
C -3.328740 2.136462 0.501428
C -3.013269 1.173098 -1.780610
C -4.202094 -1.028693 0.304000
C 1.815940 0.198617 -0.518585
C 1.112558 -2.065752 -1.107047
C 3.097991 -0.193380 0.257567
C 5.474299 0.305317 0.724219
C 4.218112 1.830102 -0.803592
H -0.537169 1.956267 -0.358920
H -0.568827 -0.024009 -1.933934
H -1.729153 -1.309197 2.029088
H -2.827231 0.031695 2.438087
H -1.045767 1.602996 2.088046
H 0.052437 0.239571 1.708840
H -3.128508 2.102796 1.584541
H -3.026022 3.135986 0.134200
H -4.421827 2.049303 0.358750
H -2.652963 2.133065 -2.196723
H -2.636183 0.361411 -2.426664
H -4.115775 1.169188 -1.865004
H -4.163835 -2.073248 0.660917
H -4.871986 -0.458122 0.973221
H -4.650421 -1.049871 -0.705897
H 1.454445 1.155800 -0.099097
H 2.087769 0.399975 -1.589507
H 2.015034 -2.475208 -0.628307
H 1.312119 -1.900864 -2.197088
H 0.297250 -2.796285 -1.017684
H 5.323494 -0.615475 1.307732
H 6.266740 0.134604 -0.030561
H 5.798850 1.118866 1.400890
H 4.852312 2.610534 -0.344333
H 4.634024 1.597169 -1.805472
H 3.211996 2.255679 -0.934840


