%chk=000158248.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158248

0 1
 O   -2.812800      -1.344700     -6.8200000E-02
 O    4.048100      -1.175600      -1.561200    
 O    2.530900      0.2743000       1.407100    
 O    1.532500      -1.931000      -2.087600    
 O   -5.017400     -0.8287000     -8.4399998E-02
 O   -5.761600       1.610000      0.4449000    
 O    2.459100       3.898400       1.044200    
 O    3.523400       3.749400     -0.9570000    
 N   0.8420000      -1.628400      0.1070000    
 N    5.441500      0.2302000      0.8918000    
 C  -0.5253000      -2.055500     -7.8000002E-02
 C   -1.467300     -0.8957000      0.2119000    
 C  -0.8621000      -3.262600      0.8129000    
 C   -1.137100      0.3154000     -0.6482000    
 C   7.4600004E-02  -4.477900      0.6462000    
 C   -2.172400       1.364300     -0.3757000    
 C    3.129200      -1.079200     -0.4842000    
 C    1.765600      -1.602200     -0.9261000    
 C   -3.485600      0.9731000     -8.7099999E-02
 C  -0.3345000      -5.582000       1.625500    
 C   6.9799997E-02  -5.028800     -0.7804000    
 C    3.091700      0.3543000      8.9500003E-02
 C   -3.849200     -0.4638000     -7.0500001E-02
 C    4.456300       1.074300      0.2161000    
 C   -1.858200       2.725900     -0.4449000    
 C   -4.472500       1.936300      0.1470000    
 C    4.353600       2.448500      0.9052000    
 C   -2.841900       3.685800     -0.2064000    
 C   -4.145600       3.291400      9.1200002E-02
 C    3.425100       3.424500      0.2194000    
 H  -0.6735000      -2.360300      -1.121100    
 H   -1.419500     -0.6330000       1.278500    
 H   -1.893700      -3.585200      0.6223000    
 H  -0.8259000      -2.946900       1.864700    
 H  -0.1426000      0.7080000     -0.4128000    
 H   -1.173800      6.7199998E-02  -1.715800    
 H    1.100300      -4.180600      0.8966000    
 H    1.128300      -1.340700       1.038200    
 H    3.477700      -1.771600      0.2943000    
 H   -1.350900      -5.937100       1.423600    
 H  -0.3006000      -5.218300       2.658000    
 H   0.3443000      -6.438400       1.552400    
 H   0.4783000      -4.311000      -1.495100    
 H   0.6841000      -5.933500     -0.8476000    
 H  -0.9452000      -5.287500      -1.100700    
 H    2.414300      0.9665000     -0.5166000    
 H    4.827500       1.246600     -0.8028000    
 H  -0.8469000       3.046700     -0.6812000    
 H    5.338700       2.930700      0.9465000    
 H    4.033100       2.326700       1.947700    
 H   -2.592000       4.741700     -0.2549000    
 H   -4.904100       4.047700      0.2756000    
 H    4.140700      -2.117500      -1.784800    
 H    5.604700     -0.6164000      0.3489000    
 H    6.336600      0.7157000      0.9364000    
 H    3.154200     -0.2221000       1.964700    
 H   -5.844800      0.6541000      0.5860000    
 H    1.859400       4.524000      0.5847000    


%chk=000158248-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000158248

0 1
O -2.730218 -1.408794 -0.055234
O 3.797325 -0.526238 -1.889402
O 2.711333 -0.252110 1.671308
O 1.451825 -1.694745 -2.189167
O -4.943814 -0.859283 -0.105515
O -5.746741 1.599140 0.118934
O 3.922018 4.442428 -0.356024
O 1.972258 3.207624 -0.136943
N 0.977680 -1.795615 0.109097
N 5.238181 0.372631 1.374779
C -0.440485 -2.187496 -0.025819
C -1.335030 -0.958303 0.291673
C -0.783096 -3.394603 0.875140
C -0.973970 0.315254 -0.483940
C 0.007949 -4.689714 0.554853
C -2.020252 1.392169 -0.266131
C 3.179868 -0.945020 -0.643598
C 1.781699 -1.536118 -0.964605
C -3.375729 0.975586 -0.103794
C -0.346395 -5.785391 1.588223
C -0.253671 -5.191320 -0.886307
C 3.033176 0.259819 0.328667
C -3.738093 -0.450362 -0.088646
C 4.330660 1.109412 0.442788
C -1.701474 2.761089 -0.257599
C -4.419832 1.955195 0.016732
C 4.023884 2.503501 1.065621
C -2.739118 3.719833 -0.103338
C -4.084706 3.332302 0.026972
C 3.178828 3.375023 0.157241
H -0.598942 -2.441505 -1.088745
H -1.339054 -0.753380 1.383362
H -1.867678 -3.590866 0.775366
H -0.605629 -3.112793 1.935746
H 0.011054 0.680591 -0.150662
H -0.885551 0.071243 -1.561773
H 1.091243 -4.464128 0.648417
H 1.359385 -1.533445 1.034850
H 3.803941 -1.724875 -0.156600
H -1.419578 -6.050207 1.525865
H -0.141201 -5.449704 2.622502
H 0.238314 -6.706242 1.407115
H 0.101302 -4.474807 -1.648830
H 0.267843 -6.149937 -1.065153
H -1.335534 -5.359601 -1.050955
H 2.199981 0.903508 0.005998
H 4.762961 1.230766 -0.567813
H -0.658733 3.079660 -0.363694
H 4.967087 3.034017 1.279712
H 3.469493 2.343615 2.009731
H -2.488894 4.786684 -0.091775
H -4.889948 4.065126 0.128299
H 3.173141 -0.837846 -2.613747
H 5.819062 -0.327684 0.898807
H 5.813661 0.979197 1.968807
H 3.641798 -0.337374 2.080483
H -5.805209 0.581167 0.036905
H 3.350227 4.988426 -0.962486


