%chk=000157478.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157478

0 1
 O  -0.5061000       1.239300      0.4460000    
 O   -4.828400       1.862500     -0.2552000    
 O   -6.085100     -0.1947000     -0.1968000    
 O    3.933700       2.410800     -0.6118000    
 O    5.725400      0.5656000      0.4358000    
 O   -1.936400       3.009900      2.4700001E-02
 N   2.0400001E-02  -2.336200     -0.4521000    
 C   0.2944000     -0.8820000     -0.4442000    
 C  -0.6000000     -0.2030000      0.6056000    
 C    1.751400     -0.5127000     -0.2177000    
 C   0.7144000      -3.029400      0.6404000    
 C    2.234700      -2.856700      0.6108000    
 C    2.659600      -1.441100      0.3222000    
 C   -2.047600     -0.4504000      0.4166000    
 C   -2.691700      0.7505000      0.1853000    
 C   0.3014000      -2.941100      -1.754500    
 C    2.199000      0.7819000     -0.5265000    
 C    3.994100      -1.065500      0.5328000    
 C   -1.718500       1.827700      0.1979000    
 C   -2.760500      -1.647700      0.4567000    
 C   -4.044500      0.7838000     -1.5300000E-02
 C    3.526500       1.147700     -0.3052000    
 C    4.423500      0.2245000      0.2247000    
 C   -4.755000     -0.3939000      1.9300001E-02
 C   -4.146000      -1.620300      0.2521000    
 C   -6.123600       1.237600     -0.3701000    
 C    3.827100       3.394100      0.4158000    
 C    6.637700      0.3386000     -0.6371000    
 H   1.4300000E-02 -0.4750000      -1.428000    
 H  -0.2979000     -0.4300000       1.634800    
 H   0.4646000      -4.097900      0.6317000    
 H   0.3309000      -2.658600       1.599400    
 H    2.667000      -3.508700     -0.1583000    
 H    2.642400      -3.174000       1.578300    
 H    1.342900      -2.820700      -2.070400    
 H  -0.3394000      -2.496500      -2.524300    
 H   6.7500003E-02  -4.011500      -1.739800    
 H    1.521700       1.509100     -0.9677000    
 H    4.702300      -1.786700      0.9351000    
 H   -2.281900      -2.595300      0.6750000    
 H   -4.726000      -2.536300      0.2843000    
 H   -6.533800       1.459800      -1.362000    
 H   -6.788100       1.664900      0.3896000    
 H    2.782700       3.520200      0.7186000    
 H    4.193700       4.344900      1.9600000E-02
 H    4.438400       3.116000       1.280200    
 H    7.630100      0.6687000     -0.3185000    
 H    6.344300      0.9141000      -1.520800    
 H    6.684700     -0.7275000     -0.8811000    


%chk=000157478-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000157478

0 1
O -0.446258 1.056237 0.772238
O -4.839627 2.056637 -0.192783
O -6.192837 0.092273 -0.508606
O 3.836655 2.389176 -0.769955
O 5.802082 0.545671 0.374627
O -1.686471 3.020277 0.508577
N 0.066626 -2.552335 -0.259676
C 0.281218 -1.081608 -0.331744
C -0.682902 -0.419481 0.714254
C 1.750252 -0.658937 -0.155154
C 0.820319 -3.175392 0.860628
C 2.351340 -2.995769 0.733734
C 2.717179 -1.558906 0.377037
C -2.160957 -0.545808 0.380294
C -2.708629 0.765697 0.269015
C 0.253116 -3.236299 -1.559621
C 2.157401 0.644016 -0.532878
C 4.057829 -1.125688 0.520782
C -1.657561 1.779198 0.509539
C -2.945593 -1.697451 0.195921
C -4.067000 0.894011 -0.031688
C 3.486505 1.073090 -0.374728
C 4.458575 0.172009 0.149162
C -4.853197 -0.266137 -0.216481
C -4.330682 -1.559700 -0.113167
C -6.221208 1.579187 -0.499090
C 4.074702 3.302454 0.372681
C 6.551235 0.980191 -0.827503
H -0.067092 -0.741276 -1.326076
H -0.448082 -0.802382 1.724471
H 0.555843 -4.248057 0.901601
H 0.475321 -2.720849 1.808525
H 2.741796 -3.677176 -0.049704
H 2.845531 -3.294646 1.678010
H 1.273275 -3.123147 -1.994379
H -0.473746 -2.838091 -2.289814
H 0.051517 -4.315366 -1.432460
H 1.433082 1.363541 -0.925755
H 4.821532 -1.802566 0.920747
H -2.480872 -2.683006 0.270609
H -4.970599 -2.432706 -0.264542
H -6.507022 1.943675 -1.500056
H -6.899417 1.924756 0.299146
H 3.151260 3.408738 0.972229
H 4.345583 4.271341 -0.074039
H 4.897939 2.927525 1.009420
H 7.541009 1.288283 -0.457293
H 6.041193 1.821059 -1.329022
H 6.660135 0.132537 -1.531134


