%chk=000005857.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005857

0 1
 O   -4.395100      0.6611000     -0.7757000    
 C   -1.171800     -0.7871000      0.1757000    
 C   -1.965700      0.2742000     -0.6188000    
 C   0.2558000     -0.9741000     -0.3452000    
 C    1.018000      0.3914000     -0.2409000    
 C   -1.239300       1.623700     -0.4731000    
 C   -3.364700      0.1447000      5.6299999E-02
 C   -2.107600      -1.993100      0.1950000    
 C   0.2331000       1.540000     -0.9177000    
 C    2.460900      0.2168000     -0.7960000    
 C   -3.526400      -1.388500      0.2301000    
 C    1.003900      -2.087000      0.4135000    
 C   -2.093600     -4.9100000E-02  -2.137000    
 C    3.132500     -0.8803000      1.5100000E-02
 C    2.453200      -2.219700     -5.8100000E-02
 C    3.318800       1.497300     -0.8395000    
 C    3.930600       1.829200      0.5163000    
 C   -3.449800      0.8157000       1.368600    
 C    4.202600     -0.6631000      0.7986000    
 C    4.824100      0.6863000      0.9974000    
 C   -3.519400       1.361600       2.435400    
 H   -1.076800     -0.4528000       1.221000    
 H   0.2236000      -1.279000      -1.398600    
 H    1.089800      0.6501000      0.8267000    
 H   -1.243000       1.958800      0.5705000    
 H   -1.753400       2.402500      -1.049200    
 H   -1.928300      -2.631400       1.066500    
 H   -1.982400      -2.613500     -0.6996000    
 H   0.2923000       1.439500      -2.007300    
 H   0.6974000       2.501700     -0.6719000    
 H    2.378800     -0.1295000      -1.836300    
 H   -4.132300      -1.820400     -0.5759000    
 H   -4.029100      -1.648900       1.169400    
 H   0.4973000      -3.048300      0.2696000    
 H   0.9872000      -1.876800       1.491000    
 H   -1.126400     -0.1395000      -2.637400    
 H   -2.631400     -0.9840000      -2.323100    
 H   -2.640600      0.7465000      -2.656400    
 H    2.481100      -2.584500      -1.092000    
 H    2.966500      -2.968500      0.5563000    
 H    2.756400       2.353700      -1.220700    
 H    4.137100       1.343400      -1.557000    
 H    3.134800       2.016200       1.247700    
 H    4.520800       2.750100      0.4473000    
 H   -4.201000       1.598700     -0.9469000    
 H    4.639300      -1.486100       1.358100    
 H    5.045100      0.8320000       2.060900    
 H    5.781900      0.7100000      0.4640000    
 H   -3.580300       1.845900       3.381900    


%chk=000005857-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005857

0 1
O -4.514993 0.646799 -0.769948
C -1.174406 -0.793919 0.148864
C -1.965815 0.281257 -0.657952
C 0.270597 -0.977613 -0.352927
C 1.027290 0.391404 -0.246248
C -1.236160 1.637672 -0.525869
C -3.380530 0.156227 0.050515
C -2.129432 -2.018920 0.182919
C 0.250191 1.528029 -0.966390
C 2.495267 0.221195 -0.779481
C -3.563973 -1.395494 0.198381
C 1.016811 -2.095982 0.414963
C -2.143184 -0.084148 -2.154774
C 3.181901 -0.887351 0.019842
C 2.489172 -2.235449 -0.059566
C 3.360460 1.509152 -0.809076
C 3.963446 1.839017 0.575021
C -3.416104 0.836171 1.364971
C 4.265639 -0.664105 0.813933
C 4.905056 0.698090 1.025990
C -3.498513 1.418455 2.449382
H -1.099423 -0.410039 1.191779
H 0.245832 -1.270991 -1.426619
H 1.082600 0.648079 0.835714
H -1.272785 1.971004 0.530238
H -1.740461 2.419171 -1.130991
H -1.946052 -2.654819 1.066027
H -1.982747 -2.653549 -0.711720
H 0.315461 1.374084 -2.063306
H 0.738795 2.499431 -0.762542
H 2.390622 -0.136666 -1.830109
H -4.173942 -1.733627 -0.657162
H -4.119887 -1.640273 1.117983
H 0.487851 -3.059970 0.281954
H 1.006302 -1.864490 1.500260
H -1.177869 -0.063032 -2.687209
H -2.584640 -1.085092 -2.296764
H -2.821428 0.638314 -2.640437
H 2.486422 -2.602521 -1.108380
H 3.020606 -2.989344 0.551458
H 2.778206 2.364530 -1.197003
H 4.195600 1.352008 -1.521821
H 3.150907 1.961125 1.318416
H 4.514466 2.798256 0.537269
H -4.565367 1.633462 -0.680315
H 4.704535 -1.512911 1.359946
H 5.172946 0.819216 2.094853
H 5.863026 0.758113 0.465364
H -3.567795 1.915945 3.399166


