%chk=000128158.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128158

0 1
 O   0.4367000      -1.863300     -0.4314000    
 O   0.7597000      -1.398500       1.800000    
 N   -4.135200     -0.2836000     -0.1818000    
 C   -3.274200      -1.451100     -3.6499999E-02
 C   -1.819400      -1.071100     -0.2922000    
 C   -5.539800     -0.6523000      3.8000001E-03
 C   -3.754200      0.7599000      0.7718000    
 C  -0.8972000      -2.276500     -0.1688000    
 C   -5.957500      -1.735200     -0.9764000    
 C   -4.600500       2.008100      0.5868000    
 C    2.527200      -1.042000      0.2400000    
 C    2.799900      0.2600000     -0.1321000    
 C    1.157500      -1.446200      0.6464000    
 C    1.778500       1.289200     -0.1443000    
 C    3.505400      -2.019100      0.2497000    
 C    4.099500      0.5990000     -0.5088000    
 C    4.805000      -1.679900     -0.1269000    
 C    5.102000     -0.3711000     -0.5061000    
 C    1.028300       1.509000      -1.297700    
 C    1.550300       2.054800      0.9973000    
 C   4.5499999E-02   2.498800      -1.309700    
 C   0.5674000       3.044500      0.9852000    
 C  -0.1849000       3.266500     -0.1683000    
 H   -3.518300      -2.221700     -0.7750000    
 H   -3.376400      -1.902700      0.9590000    
 H   -1.702400     -0.6198000      -1.285900    
 H   -1.447500     -0.3360000      0.4266000    
 H   -5.744200     -0.9856000       1.029200    
 H   -6.192800      0.2018000     -0.2035000    
 H   -3.820000      0.4138000       1.810800    
 H   -2.732300       1.106000      0.6005000    
 H   -1.157600      -3.028200     -0.9218000    
 H  -0.9871000      -2.762000      0.8104000    
 H   -5.640000      -1.504600      -1.999200    
 H   -5.578300      -2.723100     -0.6970000    
 H   -7.050500      -1.816000     -0.9870000    
 H   -4.656900       2.308900     -0.4650000    
 H   -5.615400       1.887800      0.9781000    
 H   -4.151400       2.841300       1.139500    
 H    3.281800      -3.040700      0.5434000    
 H    4.350200       1.614300     -0.8076000    
 H    5.585500      -2.435100     -0.1249000    
 H    6.113900     -0.1072000     -0.7993000    
 H    1.193900      0.9179000      -2.195200    
 H    2.127100       1.893600       1.904800    
 H  -0.5418000       2.670200      -2.206900    
 H   0.3869000       3.641600       1.874300    
 H  -0.9515000       4.035600     -0.1769000    


%chk=000128158-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128158

0 1
O 0.437196 -1.329581 -0.464839
O 0.756592 -1.797545 1.796001
N -4.358987 -0.425069 0.701461
C -3.384188 -1.396107 0.138377
C -1.942760 -0.838003 0.132423
C -5.722956 -0.579225 0.125442
C -4.360549 -0.429361 2.191157
C -0.943848 -1.890014 -0.370472
C -5.840132 -0.006013 -1.299978
C -4.851425 0.899414 2.796769
C 2.564896 -0.775245 0.512816
C 2.921621 0.249261 -0.419736
C 1.180389 -1.316341 0.712712
C 1.934131 1.086004 -1.167980
C 3.569358 -1.408110 1.293398
C 4.302519 0.550589 -0.576028
C 4.929825 -1.085587 1.127957
C 5.298077 -0.110932 0.172196
C 2.100864 1.324776 -2.557557
C 0.857582 1.722195 -0.494603
C 1.206387 2.162518 -3.259218
C -0.033256 2.564396 -1.192198
C 0.135614 2.787348 -2.579286
H -3.680349 -1.622108 -0.903214
H -3.410022 -2.369504 0.693469
H -1.908595 0.056835 -0.513443
H -1.653589 -0.526700 1.152600
H -6.051112 -1.650556 0.132690
H -6.427638 -0.033927 0.779160
H -4.970938 -1.278335 2.593346
H -3.323456 -0.606358 2.530216
H -1.162414 -2.202045 -1.405359
H -0.922399 -2.770225 0.298770
H -5.578199 1.066315 -1.298931
H -5.165324 -0.518909 -2.009384
H -6.872998 -0.120173 -1.679313
H -4.221923 1.733094 2.440164
H -5.897753 1.120485 2.518260
H -4.800528 0.861899 3.901031
H 3.256342 -2.167882 2.016819
H 4.586870 1.348407 -1.270840
H 5.692182 -1.590301 1.730552
H 6.352169 0.150346 0.027232
H 2.916995 0.827160 -3.094396
H 0.729527 1.567708 0.583209
H 1.342803 2.324097 -4.334516
H -0.854610 3.050704 -0.653981
H -0.557092 3.440609 -3.121555


