%chk=000052664.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052664

0 1
 O   0.8869000      0.5616000      2.9400000E-02
 O   0.1142000      -1.273100      -1.126700    
 N    2.698900     -0.9469000     -0.3606000    
 C    4.073000     -0.1871000       1.528100    
 C    2.169200      0.4122000     -0.6128000    
 C    2.967900      -1.140600       1.072600    
 C    3.599800       1.262400       1.341300    
 C    3.053700       1.551600     -5.9700001E-02
 C    5.372900     -0.5117000      0.7731000    
 C    3.888600      -1.347600      -1.127800    
 C    5.193800     -0.6469000     -0.7399000    
 C    1.888100      0.6608000      -2.103500    
 C  -5.2499998E-02 -0.3606000     -0.3272000    
 C   -1.329100     -0.1160000      0.4715000    
 C   -1.914300       1.277600      0.2858000    
 C   -2.375000      -1.205200      0.2696000    
 C   -2.619800       1.847600       1.325200    
 C   -3.294800      -1.063800     -0.7484000    
 C   -1.720200       1.927000     -0.9157000    
 C   -2.368800      -2.298100       1.110700    
 C   -3.155700       3.124100       1.155300    
 C   -4.252400      -2.061000     -0.9336000    
 C   -2.256000       3.203600      -1.085400    
 C   -3.326400      -3.295400      0.9253000    
 C   -2.973800       3.802100     -4.9899999E-02
 C   -4.268200      -3.176800     -9.6799999E-02
 H    4.260200     -0.3422000       2.598200    
 H    3.258200      -2.182200       1.262500    
 H    2.058400     -0.9843000       1.665600    
 H    4.408400       1.964200       1.576500    
 H    2.800600       1.459200       2.068400    
 H    2.471200       2.481500     -5.5999998E-03
 H    3.888100       1.768400     -0.7319000    
 H    5.754700      -1.468500       1.153800    
 H    6.144600      0.2351000      0.9926000    
 H    3.717800      -1.242200      -2.204800    
 H    4.027600      -2.427700     -0.9809000    
 H    5.250500      0.3363000      -1.214100    
 H    6.040900      -1.210200      -1.150600    
 H    2.817100      0.8648000      -2.649200    
 H    1.414400     -0.1766000      -2.623000    
 H    1.235100       1.530600      -2.241500    
 H   -1.000900     -0.1782000       1.521700    
 H   -2.766900       1.326500       2.266400    
 H   -3.300000     -0.2246000      -1.433900    
 H   -1.187800       1.476100      -1.746300    
 H   -1.637900      -2.400900       1.906900    
 H   -3.715200       3.589900       1.961300    
 H   -4.982300      -1.971900      -1.732900    
 H   -2.119300       3.729500      -2.025800    
 H   -3.338000      -4.164800       1.576100    
 H   -3.392300       4.795500     -0.1827000    
 H   -5.012800      -3.954000     -0.2421000    


%chk=000052664-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052664

0 1
O 1.084829 0.939286 0.170901
O -0.080223 0.625655 -1.852490
N 2.569113 -0.692314 -0.795336
C 3.633828 -1.419584 1.326612
C 2.497345 0.726999 -0.406274
C 2.431498 -1.611301 0.373160
C 3.543495 0.025394 1.894287
C 3.395809 1.123575 0.806923
C 4.944090 -1.773003 0.561338
C 3.740098 -1.102287 -1.618964
C 5.084278 -1.089367 -0.829876
C 2.713739 1.686509 -1.587824
C -0.057739 0.786045 -0.613070
C -1.293930 0.822195 0.309193
C -2.378811 1.812945 -0.140433
C -1.827255 -0.617351 0.462517
C -3.128115 2.476951 0.865562
C -2.442953 -1.294550 -0.620175
C -2.691618 2.066176 -1.500657
C -1.691865 -1.286279 1.704208
C -4.168901 3.369019 0.527133
C -2.919153 -2.613568 -0.458279
C -3.730009 2.963433 -1.839482
C -2.171739 -2.605924 1.868463
C -4.474895 3.616082 -0.831221
C -2.787919 -3.274072 0.786214
H 3.545608 -2.120028 2.182212
H 2.383057 -2.644757 -0.018272
H 1.477944 -1.402505 0.887695
H 4.429934 0.251108 2.519302
H 2.662161 0.064563 2.564869
H 2.988439 2.048461 1.255108
H 4.390017 1.381192 0.399306
H 4.952476 -2.872984 0.411589
H 5.827539 -1.535463 1.186377
H 3.804633 -0.468584 -2.518948
H 3.528889 -2.132078 -1.968456
H 5.433898 -0.046622 -0.709937
H 5.861804 -1.609701 -1.423800
H 3.779175 1.719456 -1.876359
H 2.101943 1.383709 -2.450099
H 2.418431 2.705441 -1.282276
H -0.927924 1.143080 1.299225
H -2.897815 2.288609 1.921861
H -2.543186 -0.791222 -1.587248
H -2.107845 1.576834 -2.286404
H -1.213674 -0.770634 2.546479
H -4.736176 3.870933 1.319320
H -3.393244 -3.126949 -1.302532
H -3.956264 3.152643 -2.895203
H -2.066357 -3.108673 2.836674
H -5.280417 4.309366 -1.098589
H -3.161647 -4.296759 0.910276


