%chk=000060403.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060403

0 1
 O  -0.5426000      -1.483900     -0.1765000    
 O    1.055700      -2.447900       1.135400    
 O   -2.036600       2.870000      0.8497000    
 N   -3.373800      -1.192800     -0.2143000    
 N    1.485400     -0.3733000      0.1308000    
 C   -2.692800      -2.394800     -0.6944000    
 C   -4.331600     -0.7154000      -1.210900    
 C   -4.047900      -1.460300       1.055700    
 C   -1.385400      -2.605600      5.2400000E-02
 C   -5.420800      -1.744300      -1.462500    
 C   -4.709900     -0.2060000       1.600500    
 C   0.9025000      0.9188000     -0.1201000    
 C   0.6948000      -1.506100      0.4303000    
 C    2.919900     -0.5163000      7.4800000E-02
 C  -0.2986000       1.272800      0.4945000    
 C    1.538400       1.816500     -0.9777000    
 C    3.741600      0.5613000      0.4054000    
 C    3.485400      -1.732300     -0.3093000    
 C  -0.8642000       2.524500      0.2511000    
 C   0.9729000       3.068100      -1.220900    
 C  -0.2283000       3.422200     -0.6066000    
 C    5.128600      0.4232000      0.3518000    
 C    4.872400      -1.870500     -0.3628000    
 C    5.693900     -0.7926000     -3.2200001E-02
 C   -2.559000       4.164800      0.5558000    
 H   -3.308500      -3.297500     -0.6006000    
 H   -2.437400      -2.276500      -1.755800    
 H   -4.767700      0.2500000     -0.9331000    
 H   -3.804800     -0.5122000      -2.152500    
 H   -4.764200      -2.288700       1.018000    
 H   -3.302600      -1.750700       1.804900    
 H  -0.8942000      -3.502200     -0.3450000    
 H   -1.538200      -2.752100       1.126500    
 H   -5.041300      -2.712100      -1.801500    
 H   -6.078900      -1.899300     -0.6031000    
 H   -6.066200      -1.375500      -2.269300    
 H   -4.999200     -0.3686000       2.644900    
 H   -5.624000      5.6499999E-02   1.059600    
 H   -4.028800      0.6518000       1.582700    
 H  -0.7988000      0.6073000       1.193400    
 H    2.432900       1.563100      -1.539100    
 H    3.355100       1.503700      0.7827000    
 H    2.878000      -2.582900     -0.6048000    
 H    1.459400       3.760300      -1.902300    
 H  -0.6136000       4.408100     -0.8429000    
 H    5.769000       1.256700      0.6252000    
 H    5.313100      -2.815000     -0.6682000    
 H    6.773900     -0.9010000     -7.1699999E-02
 H   -1.887000       4.957800      0.9010000    
 H   -2.810100       4.265700     -0.5055000    
 H   -3.493400       4.270800       1.116600    


%chk=000060403-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060403

0 1
O -0.608300 -1.429965 -1.677196
O 0.363151 -2.666223 0.064123
O -2.295068 2.952207 -1.052105
N -2.909260 -1.241579 0.224614
N 1.083954 -0.469023 -0.444363
C -3.022521 -1.689058 -1.180977
C -3.883803 -0.166227 0.563554
C -2.839891 -2.363575 1.201308
C -1.753422 -2.366590 -1.728634
C -5.381148 -0.576366 0.577538
C -2.481526 -1.907573 2.627073
C 0.699153 0.812045 -1.008466
C 0.276729 -1.606224 -0.606719
C 2.257251 -0.531999 0.400848
C -0.596822 1.311626 -0.776697
C 1.642504 1.565817 -1.751287
C 2.581009 0.573151 1.228072
C 3.096269 -1.674920 0.396226
C -0.967637 2.563556 -1.318588
C 1.263606 2.822024 -2.263394
C -0.039606 3.335841 -2.060893
C 3.736488 0.535608 2.037246
C 4.244111 -1.705381 1.215539
C 4.574779 -0.602683 2.037348
C -2.732634 4.251636 -1.566365
H -3.865469 -2.410172 -1.348548
H -3.233055 -0.797604 -1.801250
H -3.610562 0.241489 1.553536
H -3.735303 0.658433 -0.160217
H -3.792046 -2.952111 1.221629
H -2.042787 -3.047921 0.861631
H -1.888572 -2.599253 -2.798409
H -1.484954 -3.287549 -1.182662
H -5.709834 -0.951889 -0.408958
H -5.582984 -1.362164 1.328210
H -6.008809 0.298542 0.830162
H -2.317869 -2.791744 3.269493
H -3.277524 -1.299023 3.093214
H -1.548312 -1.317386 2.612925
H -1.322696 0.718881 -0.210102
H 2.646901 1.167684 -1.921767
H 1.930661 1.453206 1.236786
H 2.843129 -2.535043 -0.228190
H 1.986207 3.409322 -2.840652
H -0.310972 4.309413 -2.478861
H 3.975162 1.395182 2.673534
H 4.884550 -2.594424 1.207320
H 5.469314 -0.631666 2.668903
H -2.129332 5.077860 -1.141953
H -2.681093 4.286339 -2.672275
H -3.778615 4.353072 -1.241206


