%chk=000116250.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116250

0 1
 O    1.114800       1.856600      0.8103000    
 O   -1.829700      0.7286000      -1.795700    
 O   -3.880000     -0.8725000     -0.8592000    
 O  -2.0000000E-02   2.624100      -1.039700    
 N    3.593700      0.6326000      0.2822000    
 C    3.257100      -2.810600     -0.1938000    
 C    1.866200      -2.544600      0.3864000    
 C    4.248500      -1.697600      0.1354000    
 C   0.9156000      -3.696700      0.1004000    
 C    3.812500     -0.3889000     -0.4673000    
 C    3.166300       1.830600     -0.4328000    
 C    2.247000       2.642400      0.4612000    
 C   -1.065500       1.078800      0.4449000    
 C   -1.961200      0.5037000     -0.4567000    
 C   -2.998000     -0.3045000      9.8000001E-03
 C   -1.206300      0.8454000       1.812900    
 C   4.6100002E-02   1.941400     -2.9300001E-02
 C   -3.138900     -0.5377000       1.377900    
 C   -2.243000      3.7300002E-02   2.279300    
 C   -1.015200     -0.1840000      -2.527500    
 C   -4.910000      -1.684500     -0.2990000    
 H    3.178800      -2.924200      -1.282300    
 H    3.646000      -3.756700      0.2013000    
 H    1.936900      -2.398300       1.470500    
 H    1.442100      -1.627500     -3.7900001E-02
 H    4.363400      -1.589200       1.219300    
 H    5.227600      -1.945000     -0.2884000    
 H    1.282500      -4.628000      0.5433000    
 H  -7.2200000E-02  -3.485700      0.5223000    
 H   0.7986000      -3.850000     -0.9771000    
 H    3.706000     -0.3582000      -1.566400    
 H    2.638200       1.579700      -1.361300    
 H    4.044700       2.431300     -0.6926000    
 H    1.958200       3.585900     -1.6200000E-02
 H    2.759100       2.901500       1.394600    
 H  -0.5326000       1.289200       2.541000    
 H   -3.918900      -1.153100       1.812500    
 H   -2.353700     -0.1415000       3.345000    
 H   3.7000000E-03 -0.2060000      -2.127800    
 H   -1.447600      -1.189200      -2.501400    
 H  -0.9745000      0.1515000      -3.567400    
 H   -5.517600      -2.053800      -1.131700    
 H   -5.576600      -1.102700      0.3468000    
 H   -4.499400      -2.563800      0.2089000    


%chk=000116250-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116250

0 1
O 1.119416 1.369436 0.310361
O -2.626207 1.823965 -1.356574
O -4.544148 -0.125870 -1.091604
O 0.202828 2.039044 -1.729760
N 4.082354 0.591385 -0.026616
C 3.669157 -2.820370 0.903835
C 2.823025 -2.281997 2.080404
C 4.677197 -1.774806 0.347366
C 1.751927 -3.289054 2.550806
C 3.983632 -0.652946 -0.390793
C 3.349658 1.613337 -0.805320
C 2.269438 2.282800 0.059728
C -0.951840 0.370716 -0.344133
C -2.275682 0.586003 -0.813761
C -3.270157 -0.417837 -0.584291
C -0.641937 -0.800443 0.400065
C 0.128230 1.343878 -0.688111
C -2.942264 -1.592734 0.129371
C -1.630330 -1.772215 0.628419
C -2.954515 1.859568 -2.797431
C -5.622559 -1.072783 -0.795722
H 2.996212 -3.154391 0.085979
H 4.227203 -3.719175 1.234257
H 3.496681 -2.030780 2.924077
H 2.343483 -1.328422 1.783950
H 5.280614 -1.343300 1.166244
H 5.370104 -2.282502 -0.355316
H 2.215023 -4.237418 2.883421
H 1.161727 -2.886324 3.394319
H 1.050989 -3.532707 1.728753
H 3.368673 -0.966050 -1.269463
H 2.883169 1.227355 -1.739735
H 4.073059 2.404380 -1.085414
H 1.896239 3.196920 -0.433748
H 2.659908 2.503509 1.065042
H 0.373104 -0.930374 0.781817
H -3.699942 -2.359994 0.315458
H -1.387870 -2.676814 1.195872
H -2.047092 1.633966 -3.386056
H -3.771575 1.154158 -3.030249
H -3.277740 2.893223 -2.990698
H -6.522250 -0.629965 -1.247048
H -5.767927 -1.184236 0.296086
H -5.426316 -2.064038 -1.249089


