%chk=000131705.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131705

0 1
 O   -4.150300       1.758100       1.067500    
 O    7.101800      -1.576100     -0.2172000    
 N    5.478500      6.2799998E-02 -0.2443000    
 C  -9.1100000E-02   1.530600     -0.5102000    
 C   -1.158000      0.7307000      0.2689000    
 C    1.329100       1.306000      2.0800000E-02
 C    1.671900     -0.2187000     -0.1089000    
 C    3.139600     -0.5191000      0.3612000    
 C  -0.8455000     -0.7622000      9.8099999E-02
 C   -2.423600       1.217900     -0.4711000    
 C   0.5837000      -1.101500      0.5611000    
 C  -0.6608000       2.944600     -0.5379000    
 C    2.351800       2.186800     -0.7143000    
 C   -2.176400       2.724800     -0.6953000    
 C    4.081700      0.3912000     -0.4776000    
 C    3.789600       1.878700     -0.3017000    
 C   -1.228900       1.080300       1.778900    
 C    3.306900     -0.2933000       1.883200    
 C    3.580800      -1.949300      7.9700001E-02
 C   -3.706200      0.9513000      0.2539000    
 C    4.848600      -2.279700     -0.2099000    
 C    5.919000      -1.245900     -0.2263000    
 C   -4.445900     -0.3125000     -2.2900000E-02
 C   -4.344500     -0.8778000      -1.274700    
 C   -5.204300     -0.8686000      0.9831000    
 C   -5.037200      -2.060500      -1.533800    
 C   -5.896900      -2.051400      0.7241000    
 C   -5.813300      -2.647300     -0.5344000    
 H  -9.0800002E-02   1.183200      -1.557300    
 H    1.361800       1.598200       1.075300    
 H    1.628300     -0.4629000      -1.182600    
 H  -0.9476000      -1.050900     -0.9561000    
 H   -1.562500      -1.374600      0.6574000    
 H   -2.432500      0.7853000      -1.473300    
 H   0.6376000      -1.012300       1.650500    
 H   0.7604000      -2.157500      0.3313000    
 H  -0.2576000       3.535800      -1.366300    
 H  -0.4441000       3.483700      0.3910000    
 H    2.147300       3.245800     -0.5181000    
 H    2.252000       2.042400      -1.797800    
 H   -2.716900       3.376200     -6.9999998E-04
 H   -2.499700       3.008400      -1.704100    
 H    3.927000      0.1598000      -1.543500    
 H    4.474200       2.471100     -0.9215000    
 H    3.966700       2.194700      0.7327000    
 H   -1.970200      0.4535000       2.288100    
 H  -0.2800000      0.9170000       2.296200    
 H   -1.508500       2.123600       1.955800    
 H    2.729500      -1.022200       2.463100    
 H    4.351300     -0.4029000       2.198600    
 H    2.987000      0.7023000       2.200500    
 H    2.853700      -2.751400      0.1528000    
 H    6.172500      0.8036000     -0.2767000    
 H    5.139400      -3.311900     -0.3671000    
 H   -3.793700     -0.4445000      -2.099300    
 H   -5.273500     -0.4179000       1.968400    
 H   -4.980600      -2.519900      -2.516400    
 H   -6.500700      -2.509000       1.502400    
 H   -6.354300      -3.567100     -0.7367000    


%chk=000131705-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131705

0 1
O -4.230267 1.744355 1.115093
O 7.199010 -1.585478 -0.353501
N 5.532103 0.053711 -0.290319
C -0.066059 1.585145 -0.459076
C -1.148825 0.735003 0.285016
C 1.369288 1.336504 0.050189
C 1.701041 -0.185750 -0.123622
C 3.175947 -0.512558 0.315021
C -0.812580 -0.760043 0.071492
C -2.443970 1.269559 -0.463372
C 0.627776 -1.079764 0.557502
C -0.642248 3.020317 -0.448151
C 2.397001 2.235199 -0.683102
C -2.185972 2.808377 -0.606530
C 4.118501 0.411012 -0.526289
C 3.854430 1.906825 -0.287708
C -1.244667 1.062479 1.799028
C 3.386544 -0.328804 1.849570
C 3.582323 -1.948352 -0.022718
C -3.757665 0.944264 0.249361
C 4.867666 -2.278202 -0.331728
C 5.967688 -1.265621 -0.340525
C -4.486166 -0.344213 -0.040253
C -4.112862 -1.240195 -1.078733
C -5.614981 -0.664166 0.765739
C -4.850594 -2.422066 -1.306738
C -6.347859 -1.845237 0.542330
C -5.968215 -2.729387 -0.497431
H -0.085696 1.238657 -1.519701
H 1.411181 1.592018 1.129256
H 1.645437 -0.394064 -1.218549
H -0.885556 -1.002460 -1.010541
H -1.535012 -1.412726 0.598483
H -2.441831 0.806180 -1.468584
H 0.678935 -0.959977 1.656260
H 0.834633 -2.146967 0.350473
H -0.226380 3.645719 -1.257834
H -0.409891 3.529060 0.506962
H 2.179803 3.298066 -0.467591
H 2.278652 2.101260 -1.779446
H -2.755013 3.349404 0.168211
H -2.546173 3.165103 -1.588176
H 3.875032 0.198364 -1.594913
H 4.556776 2.512401 -0.895664
H 4.037736 2.165037 0.773120
H -1.960211 0.381625 2.295008
H -0.273164 0.948878 2.309933
H -1.604779 2.089326 1.977625
H 2.883540 -1.134768 2.412299
H 4.462484 -0.373301 2.091896
H 2.990657 0.634967 2.214769
H 2.823547 -2.737548 0.058633
H 6.251184 0.780773 -0.334079
H 5.182416 -3.309868 -0.518579
H -3.255614 -1.019882 -1.722166
H -5.893524 0.039056 1.557503
H -4.556074 -3.101158 -2.114321
H -7.213902 -2.079461 1.171097
H -6.539980 -3.647127 -0.675328


