%chk=000105730.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105730

0 1
 O   -2.793000      -3.778300     -2.9200001E-02
 O   -2.152200       1.084600      0.7820000    
 O    3.283000      0.1496000      0.8632000    
 N   -1.176700      -1.502000      0.2943000    
 N    2.316000       2.746000       1.353000    
 C   -2.169200      -1.859600       1.317100    
 C  -0.7351000      -2.608600     -0.5614000    
 C  -0.3102000     -0.4365000      0.5593000    
 C   -3.305800      -2.649200      0.6778000    
 C   -1.948200      -3.358800      -1.100200    
 C  -0.8109000      0.8432000      0.7998000    
 C    1.066200     -0.6627000      0.5819000    
 C    1.941600      0.3909000      0.8453000    
 C   6.4700000E-02   1.896700       1.062600    
 C    1.441000       1.670700       1.085500    
 C   -2.626500       2.034100     -0.1702000    
 C   -4.052400       1.670200     -0.5593000    
 C    3.866400     -0.3531000     -0.3368000    
 C    5.315600      0.1066000     -0.4093000    
 C   -4.619600       2.640000      -1.592100    
 C    5.999500     -0.3845000      -1.682000    
 C   -6.027700       2.247900      -2.010100    
 C    7.433400      0.1128000      -1.771200    
 H   -1.671700      -2.483600       2.070500    
 H   -2.589800     -0.9969000       1.840700    
 H  -0.1432000      -2.245100      -1.409700    
 H  -0.1191000      -3.298500      2.8600000E-02
 H   -3.890900      -2.023600     -7.1999999E-03
 H   -3.985200      -3.018900       1.452300    
 H   -1.624000      -4.252100      -1.643400    
 H   -2.524500      -2.737600      -1.796600    
 H    1.476300      -1.656200      0.4226000    
 H  -0.3236000       2.893400       1.259100    
 H   -1.990500       2.037400      -1.064900    
 H   -2.601400       3.031800      0.2828000    
 H   -4.068400      0.6457000     -0.9521000    
 H   -4.683600       1.656400      0.3379000    
 H    3.817900      -1.447900     -0.3220000    
 H    3.320100      1.1400000E-02  -1.216500    
 H    5.856500     -0.2504000      0.4759000    
 H    5.349400       1.202300     -0.3592000    
 H   -3.975800       2.658900      -2.479100    
 H   -4.634500       3.655700      -1.180100    
 H    5.445200     -3.6699999E-02  -2.561500    
 H    5.994900      -1.480300      -1.707900    
 H    1.946100       3.671500       1.524100    
 H    3.315100       2.589200       1.366300    
 H   -6.040400       1.249100      -2.457900    
 H   -6.414900       2.956400      -2.749000    
 H   -6.706000       2.248200      -1.150900    
 H    8.025200     -0.2422000     -0.9215000    
 H    7.904600     -0.2519000      -2.689400    
 H    7.469500       1.206800      -1.782400    


%chk=000105730-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105730

0 1
O -2.222533 -4.182937 -0.277188
O -2.342592 0.882047 -0.222487
O 3.305602 0.983532 -0.307716
N -1.004231 -1.556442 -0.434547
N 1.976229 3.304473 -0.101803
C -1.935430 -1.902333 0.672376
C -0.300408 -2.747617 -0.947787
C -0.260287 -0.339812 -0.312188
C -2.925695 -2.979006 0.206490
C -1.327294 -3.809750 -1.382717
C -0.927791 0.920687 -0.216089
C 1.162951 -0.323691 -0.333681
C 1.890289 0.879934 -0.275069
C -0.195029 2.126511 -0.126800
C 1.221634 2.131192 -0.164539
C -3.064919 2.162492 -0.240781
C -4.559652 1.841006 -0.323593
C 4.077460 -0.263635 -0.373948
C 5.562179 0.109390 -0.371583
C -5.428871 3.120124 -0.331051
C 6.473642 -1.138953 -0.431290
C -6.938369 2.807305 -0.414044
C 7.973817 -0.774956 -0.424144
H -1.366986 -2.280441 1.555682
H -2.488394 -0.996830 0.967204
H 0.312100 -2.460525 -1.822704
H 0.377621 -3.199427 -0.180711
H -3.562655 -2.568251 -0.606253
H -3.558789 -3.325637 1.040182
H -0.823796 -4.743970 -1.684415
H -1.926037 -3.414961 -2.232229
H 1.697833 -1.275194 -0.382507
H -0.717316 3.084928 -0.047356
H -2.739255 2.762070 -1.117438
H -2.838708 2.738128 0.682748
H -4.750022 1.248479 -1.238792
H -4.838975 1.202698 0.537216
H 3.829680 -0.901421 0.501611
H 3.811157 -0.818573 -1.299070
H 5.784781 0.693930 0.542089
H 5.770653 0.768823 -1.236163
H -5.137264 3.760152 -1.188829
H -5.224133 3.711376 0.584942
H 6.239817 -1.723485 -1.344485
H 6.249694 -1.800675 0.430111
H 1.533345 4.212959 -0.021677
H 2.989107 3.232216 -0.121949
H -7.175599 2.242944 -1.335193
H -7.542257 3.733011 -0.419124
H -7.264294 2.194945 0.447505
H 8.242992 -0.221197 0.494750
H 8.608135 -1.678732 -0.472542
H 8.230063 -0.134600 -1.288924


