%chk=000124226.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124226

0 1
 O   -1.851800      0.1406000       1.999700    
 N    3.067300      0.9125000      0.4925000    
 C   -2.106000      0.8707000     -0.2510000    
 C   -1.201800      0.1120000      0.7187000    
 C   -2.260200       2.334200      0.1841000    
 C   -3.475300      0.1868000     -0.3630000    
 C   0.1573000      0.8482000      0.8740000    
 C   -3.203200       3.100900     -0.7404000    
 C   -4.416200      0.9570000      -1.286700    
 C   -4.560100       2.413400     -0.8562000    
 C    1.147500      0.1523000       1.821600    
 C   -1.023600      -1.335600      0.2499000    
 C    2.493100      0.8786000       1.837200    
 C    4.345300       1.638200      0.4976000    
 C    3.232600     -0.4509000     -3.0500000E-02
 C    4.935900       1.725400     -0.9105000    
 C    3.786600     -0.4319000      -1.456100    
 C    5.097600      0.3423000      -1.531000    
 C  -0.4646000      -1.561800     -0.9860000    
 C   -1.429300      -2.351000       1.083700    
 C  -0.3019000      -2.879700      -1.412800    
 C   -1.266500      -3.668900      0.6569000    
 C  -0.7028000      -3.933200     -0.5915000    
 H   -1.658600      0.8855000      -1.254400    
 H   -1.305100       2.866800      0.1497000    
 H   -2.639300       2.402800       1.210900    
 H   -3.950200      0.1044000      0.6226000    
 H   -3.386100     -0.8305000     -0.7589000    
 H   0.6009000      0.9923000     -0.1174000    
 H   3.7000000E-03   1.841300       1.310700    
 H   -3.338800       4.121700     -0.3655000    
 H   -2.751100       3.184400      -1.736500    
 H   -4.033700      0.9159000      -2.314100    
 H   -5.401200      0.4766000      -1.293900    
 H   -5.186000       2.951200      -1.577100    
 H   -5.075500       2.458500      0.1112000    
 H   0.7532000      0.2017000       2.844600    
 H    1.257800     -0.9154000       1.617300    
 H    2.339200       1.902000       2.202000    
 H    3.165300      0.3792000       2.546900    
 H   -1.250600     -0.2126000       2.675000    
 H    4.190900       2.659500      0.8663000    
 H    5.066900       1.154500       1.169200    
 H    3.896400      -1.040900      0.6153000    
 H    2.285400     -0.9877000     -0.1051000    
 H    4.281900       2.336600      -1.545700    
 H    5.908000       2.230000     -0.8738000    
 H    3.944200      -1.458400      -1.806500    
 H    3.051700      2.6799999E-02  -2.130000    
 H    5.879900     -0.2098000     -0.9958000    
 H    5.422300      0.4329000      -2.573300    
 H  -0.1361000     -0.7572000      -1.635400    
 H   -1.876700      -2.192000       2.058100    
 H   0.1399000      -3.085600      -2.383400    
 H   -1.579600      -4.489900       1.295500    
 H  -0.5756000      -4.959400     -0.9236000    


%chk=000124226-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124226

0 1
O -1.933322 0.119469 2.105901
N 3.135993 0.701871 0.472731
C -2.194970 0.983253 -0.151224
C -1.219202 0.200958 0.802638
C -2.448969 2.445967 0.302870
C -3.546971 0.237437 -0.320679
C 0.125600 0.954402 1.013302
C -3.422494 3.187794 -0.646047
C -4.508176 0.983133 -1.275339
C -4.761192 2.432473 -0.803198
C 1.134020 0.243219 1.946076
C -0.968327 -1.219541 0.245637
C 2.551090 0.855136 1.828978
C 4.235118 1.669350 0.219416
C 3.574004 -0.689805 0.189620
C 4.713274 1.597592 -1.245304
C 4.034570 -0.841984 -1.274528
C 5.161187 0.162755 -1.605782
C -0.130030 -1.416995 -0.883898
C -1.586658 -2.353015 0.829832
C 0.085661 -2.709812 -1.409969
C -1.367910 -3.649363 0.309301
C -0.530053 -3.835089 -0.813480
H -1.692555 1.011428 -1.143943
H -1.499343 3.011708 0.346109
H -2.864315 2.424517 1.329209
H -4.016361 0.136008 0.677094
H -3.368652 -0.785939 -0.699132
H 0.625197 1.114141 0.039446
H -0.098706 1.952371 1.432106
H -3.599944 4.213819 -0.267458
H -2.949431 3.293809 -1.645422
H -4.071079 1.005339 -2.296243
H -5.464263 0.428701 -1.350319
H -5.422113 2.963925 -1.516006
H -5.287093 2.411934 0.173748
H 0.821039 0.332915 3.008055
H 1.173459 -0.838179 1.716651
H 2.486877 1.940115 2.044366
H 3.213527 0.407056 2.613904
H -1.294752 -0.220276 2.783727
H 3.862191 2.685848 0.446869
H 5.109813 1.475677 0.897547
H 4.416085 -0.986044 0.872323
H 2.733176 -1.377727 0.385639
H 3.878184 1.901659 -1.906036
H 5.541662 2.316265 -1.397602
H 4.374229 -1.881821 -1.445372
H 3.167651 -0.659783 -1.939847
H 6.067824 -0.097015 -1.020369
H 5.438608 0.099155 -2.675128
H 0.366964 -0.560052 -1.353985
H -2.254684 -2.203903 1.684432
H 0.737070 -2.838850 -2.282496
H -1.857876 -4.511894 0.776180
H -0.361334 -4.838815 -1.219798


