%chk=000129375.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129375

0 1
 O   0.3069000       1.795900     -8.9000002E-02
 O   -1.679500     -0.6839000      -2.491900    
 O   -1.475100      2.5300000E-02   2.082200    
 O   -1.110400       3.554300      0.3349000    
 O   -6.979600     -0.2897000     -0.7603000    
 O    6.841800     -0.4458000      -1.258300    
 O    6.608000      -1.133700      0.8132000    
 N   -1.681500      9.0899996E-02 -0.2663000    
 N    6.214100     -0.4637000     -0.1719000    
 C   -2.040900       1.472600     -0.4658000    
 C   -3.333600       1.827300      0.2778000    
 C   -4.520000      0.9644000     -0.1632000    
 C   -1.539100     -0.8269000      -1.291600    
 C   -1.438200     -0.4737000      0.9728000    
 C   -1.162100      -2.087200     -0.6527000    
 C   -1.101200      -1.873700      0.7165000    
 C  -0.9137000       2.398400     -2.6799999E-02
 C   -5.802800       1.381400      0.5501000    
 C  -0.8951000      -3.319800      -1.212100    
 C  -0.7701000      -2.881700       1.598600    
 C  -0.5567000      -4.356300     -0.3375000    
 C  -0.4950000      -4.139400       1.054300    
 C    1.421300       2.603300      0.3054000    
 C   -7.001900      0.5797000      0.1042000    
 C    2.679900       1.796100      0.1795000    
 C    3.393800       1.799700      -1.018800    
 C    3.137000       1.043400       1.261400    
 C    4.564500       1.050700      -1.135600    
 C    4.307700      0.2942000       1.144700    
 C    5.021500      0.2978000     -5.3700000E-02
 H   -2.180800       1.648600      -1.539600    
 H   -3.201600       1.744600       1.363200    
 H   -3.580000       2.880200      8.6800002E-02
 H   -4.654600       1.053400      -1.248400    
 H   -4.325000     -9.4099998E-02  4.5200001E-02
 H   -5.698400       1.245700       1.632000    
 H   -6.024500       2.436600      0.3574000    
 H  -0.9430000      -3.486900      -2.281600    
 H  -0.7227000      -2.715300       2.668300    
 H  -0.3379000      -5.344600     -0.7336000    
 H  -0.2295000      -4.963500       1.711300    
 H    1.288000       2.936900       1.342000    
 H    1.477700       3.494100     -0.3326000    
 H   -7.946400      0.8333000      0.6161000    
 H    3.046200       2.380900      -1.868900    
 H    2.587600       1.030900       2.199100    
 H    5.094400       1.077000      -2.084400    
 H    4.633300     -0.2806000       2.007900    


%chk=000129375-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129375

0 1
O 0.258549 1.734050 -0.996153
O -2.520397 -0.617122 -2.718916
O -0.662760 -0.009173 1.560645
O -0.974920 3.560790 -0.220835
O -7.074497 -0.301042 0.495235
O 7.030513 -0.147470 1.079127
O 5.622230 -0.766212 2.763172
N -1.730629 0.001891 -0.563156
N 5.868200 -0.173408 1.642293
C -2.121397 1.413081 -0.624380
C -3.181038 1.798110 0.440832
C -4.495092 1.008780 0.278875
C -1.955194 -0.915558 -1.639990
C -1.028175 -0.604192 0.513347
C -1.381058 -2.217262 -1.180232
C -0.826169 -2.030992 0.110457
C -0.909622 2.361308 -0.563035
C -5.540668 1.435712 1.324644
C -1.335101 -3.462121 -1.824376
C -0.204747 -3.083322 0.798477
C -0.709780 -4.534196 -1.135297
C -0.152916 -4.347671 0.155333
C 1.500267 2.563685 -1.022729
C -6.838865 0.649029 1.278957
C 2.622886 1.816709 -0.336660
C 3.914732 1.798248 -0.921400
C 2.409123 1.169342 0.908677
C 4.988863 1.154015 -0.277345
C 3.469591 0.514610 1.561735
C 4.747335 0.518517 0.959263
H -2.566420 1.539574 -1.635479
H -2.751139 1.637045 1.446891
H -3.363275 2.883644 0.339386
H -4.911576 1.154571 -0.736514
H -4.312437 -0.077749 0.377250
H -5.135876 1.339561 2.356572
H -5.798674 2.512363 1.222749
H -1.767059 -3.594877 -2.821023
H 0.223138 -2.929115 1.793922
H -0.654731 -5.521383 -1.606045
H 0.324754 -5.193224 0.661323
H 1.274951 3.525232 -0.522089
H 1.729453 2.754814 -2.084627
H -7.610663 0.978657 2.023509
H 4.083214 2.286901 -1.887889
H 1.410449 1.158163 1.356895
H 5.991981 1.127285 -0.710451
H 3.327446 0.007503 2.519356


