%chk=000163142.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163142

0 1
 O    2.726700      -1.221900      0.9315000    
 N   -3.138400       2.101300     -0.7957000    
 C   -1.846000     -0.5285000     -0.8553000    
 C   -3.265700     -0.2858000     -0.2693000    
 C   -3.322400       1.139500      0.3141000    
 C   -1.627400      0.5201000      -1.980400    
 C   -1.828600      -1.951600      -1.478200    
 C   -3.691100      -1.377600      0.7328000    
 C  -0.7624000     -0.2947000      0.2134000    
 C   -2.333300       1.275500       1.490300    
 C   -1.868100       1.963300      -1.512400    
 C   -2.238400      -3.043000     -0.4880000    
 C   -3.615600      -2.766800      0.1055000    
 C   -1.007100      0.5750000       1.300300    
 C   0.5149000     -0.8743000      0.1031000    
 C   -3.383100       3.487400     -0.4105000    
 C  -6.0000001E-03  0.7959000       2.262000    
 C    1.503000     -0.6401000       1.061600    
 C    1.240900      0.1895000       2.144300    
 C    3.696000     -0.5306000      0.2243000    
 C    4.530500      0.3408000      0.9005000    
 C    3.804200     -0.7293000      -1.140300    
 C    5.506300       1.037700      0.1878000    
 C    4.780100     -3.2499999E-02  -1.852700    
 C    5.631200      0.8509000      -1.188700    
 H   -3.994200     -0.3364000      -1.094600    
 H   -4.334800       1.300100      0.7093000    
 H   -2.316800      0.3121000      -2.810500    
 H  -0.6143000      0.4413000      -2.395700    
 H  -0.8548000      -2.196800      -1.914600    
 H   -2.535400      -1.982500      -2.319600    
 H   -4.718400      -1.189000       1.066800    
 H   -3.065300      -1.368100       1.631500    
 H   -2.803300      0.8430000       2.384100    
 H   -2.156700       2.329900       1.729500    
 H   -1.026800       2.308700     -0.8995000    
 H   -1.879600       2.603800      -2.403400    
 H   -1.498600      -3.123100      0.3166000    
 H   -2.252400      -4.012000      -1.000200    
 H   -4.375400      -2.852500     -0.6811000    
 H   -3.852500      -3.526100      0.8593000    
 H   0.7590000      -1.517300     -0.7370000    
 H   -2.601500       3.891700      0.2407000    
 H   -4.347200       3.587200      0.1000000    
 H   -3.437200       4.123200      -1.301500    
 H  -0.1975000       1.450400       3.109200    
 H    1.999300      0.3731000       2.900000    
 H    4.442100      0.4858000       1.972900    
 H    3.148900      -1.420200      -1.661900    
 H    6.169900       1.724500      0.7051000    
 H    4.878400     -0.1789000      -2.924500    
 H    6.391500       1.392900      -1.743400    


%chk=000163142-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000163142

0 1
O 2.725321 -1.081309 0.227111
N -3.487240 1.924752 -1.020391
C -2.109753 -0.675158 -0.878604
C -3.442439 -0.377540 -0.121756
C -3.491858 1.124310 0.237977
C -2.114378 0.197715 -2.178929
C -2.095315 -2.181066 -1.273409
C -3.652424 -1.309270 1.096088
C -0.898701 -0.254120 -0.019716
C -2.355035 1.462128 1.249987
C -2.303845 1.698901 -1.885598
C -2.302577 -3.127312 -0.068037
C -3.620467 -2.796244 0.671640
C -1.019971 0.788182 0.947443
C 0.380473 -0.821027 -0.249218
C -3.790329 3.352870 -0.832984
C 0.130500 1.201012 1.666860
C 1.508169 -0.383319 0.467424
C 1.397571 0.628056 1.447304
C 3.944021 -0.376719 0.072808
C 5.116987 -1.129451 0.310085
C 4.019657 0.966959 -0.365531
C 6.377880 -0.527931 0.111945
C 5.290374 1.555381 -0.556249
C 6.472965 0.817450 -0.318185
H -4.268138 -0.560700 -0.840863
H -4.460885 1.340031 0.732583
H -2.946684 -0.148533 -2.823059
H -1.169191 0.047713 -2.736717
H -1.165421 -2.439143 -1.815667
H -2.922450 -2.340772 -1.996570
H -4.620680 -1.069126 1.580313
H -2.862419 -1.139954 1.854056
H -2.688345 1.158739 2.264116
H -2.215404 2.560232 1.302607
H -1.369058 2.120081 -1.438342
H -2.471707 2.239457 -2.837601
H -1.450942 -3.031424 0.634623
H -2.312869 -4.178592 -0.416024
H -4.479185 -3.006142 0.000228
H -3.737157 -3.449726 1.557841
H 0.525973 -1.613542 -0.988570
H -2.973402 3.940355 -0.341805
H -4.702673 3.461298 -0.218298
H -3.984206 3.819707 -1.816682
H 0.028186 1.992006 2.420569
H 2.273254 0.951203 2.018676
H 5.020978 -2.168054 0.640654
H 3.107479 1.537672 -0.564310
H 7.287144 -1.111004 0.295863
H 5.351489 2.594436 -0.899298
H 7.453327 1.281532 -0.468886


