%chk=000059350.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059350

0 1
 O   -1.016700       1.250200     -5.8200002E-02
 O   0.6600000       1.551700      -1.618500    
 N   -5.180300      0.4389000      0.5879000    
 C   -3.803800      0.4744000      7.4500002E-02
 C   -3.881500     -0.4241000      -1.161800    
 C   -5.060500      -1.357300     -0.9081000    
 C   -5.595300     -0.9600000      0.4575000    
 C   -3.324900       1.877500     -0.2756000    
 C   -1.959800       1.858800     -0.9461000    
 C   -5.295100      0.9038000       1.964900    
 C    1.128300      0.5118000      0.4976000    
 C    2.580600      0.9416000      0.3840000    
 C    1.234100     -0.9897000      0.2967000    
 C    3.408100     -0.1788000      0.1428000    
 C    2.580900      -1.365200      8.9400001E-02
 C   0.2600000       1.163700     -0.5292000    
 C    3.107000       2.219800      0.4738000    
 C   0.2150000      -1.927700      0.2863000    
 C    4.777200     -2.5300000E-02 -2.3000001E-03
 C    2.917800      -2.692000     -0.1219000    
 C    4.486800       2.373700      0.3275000    
 C   0.5553000      -3.264800      7.3700003E-02
 C    5.313600       1.262200      9.2600003E-02
 C    1.893300      -3.643300     -0.1275000    
 H   -3.122200      1.0300000E-02  0.8014000    
 H   -2.954800     -0.9917000      -1.300700    
 H   -4.069200      0.1441000      -2.080900    
 H   -5.823500      -1.209000      -1.681400    
 H   -4.758600      -2.409200     -0.9322000    
 H   -6.682700      -1.073800      0.5121000    
 H   -5.139300      -1.591900       1.230800    
 H   -3.256500       2.475100      0.6414000    
 H   -4.042600       2.378800     -0.9366000    
 H   -1.982200       1.314500      -1.896400    
 H   -1.645200       2.890000      -1.145700    
 H   -6.330100      0.8091000       2.312300    
 H   -5.037200       1.964700       2.042500    
 H   -4.651900      0.3414000       2.651200    
 H   0.7811000      0.7369000       1.512900    
 H    2.471700       3.079800      0.6551000    
 H  -0.8190000      -1.640900      0.4424000    
 H    5.428400     -0.8732000     -0.1868000    
 H    3.945800      -2.999600     -0.2817000    
 H    4.928400       3.364500      0.3953000    
 H  -0.2230000      -4.023200      6.3100003E-02
 H    6.385100       1.407200     -1.8200001E-02
 H    2.133500      -4.690600     -0.2914000    


%chk=000059350-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059350

0 1
O -0.981224 1.421788 0.022106
O 0.634696 1.988074 -1.560135
N -5.155166 0.200979 0.592441
C -3.803119 0.334937 -0.024426
C -3.952413 -0.429917 -1.370757
C -5.127334 -1.438082 -1.148363
C -5.571633 -1.198131 0.316125
C -3.383051 1.810192 -0.179655
C -2.034583 2.002868 -0.872101
C -5.239083 0.566617 2.016750
C 1.263487 0.764699 0.524024
C 2.746693 1.054662 0.319264
C 1.199983 -0.768466 0.402279
C 3.467069 -0.163865 0.146602
C 2.512209 -1.288157 0.192044
C 0.329191 1.463192 -0.469700
C 3.410871 2.291128 0.302386
C 0.087105 -1.620447 0.486951
C 4.867457 -0.147071 -0.033516
C 2.711664 -2.680715 0.069617
C 4.816331 2.308261 0.119735
C 0.291163 -3.018221 0.361616
C 5.536889 1.098711 -0.043978
C 1.591958 -3.541191 0.155413
H -3.037512 -0.186270 0.609976
H -3.011763 -0.936625 -1.648727
H -4.202158 0.278574 -2.181746
H -5.955523 -1.221590 -1.844188
H -4.818759 -2.485565 -1.309777
H -6.660032 -1.315072 0.465655
H -5.052669 -1.920383 0.999703
H -3.347112 2.308600 0.807347
H -4.157831 2.326995 -0.780001
H -1.979562 1.491365 -1.849469
H -1.798624 3.071124 -1.027337
H -6.269982 0.402850 2.377794
H -5.002999 1.635208 2.158678
H -4.546320 -0.032558 2.662324
H 0.931545 1.065926 1.537611
H 2.857826 3.230017 0.413941
H -0.916499 -1.211355 0.645623
H 5.429760 -1.078145 -0.165893
H 3.714167 -3.093055 -0.090226
H 5.350999 3.264338 0.100070
H -0.563700 -3.700754 0.425621
H 6.623196 1.131866 -0.184210
H 1.730490 -4.624137 0.061010


