%chk=000045254.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045254

0 1
 O  -0.6969000      -1.552400     -0.4825000    
 O    5.060900      0.7922000     -0.6906000    
 O   6.7299999E-02  -2.493300       1.474500    
 N   -3.662200      0.2361000     -0.2981000    
 C   -3.659700       1.708700     -0.2058000    
 C   -4.192400       2.141800       1.173600    
 C   -4.982700     -0.3600000     -6.7199998E-02
 C   -5.564000       1.549000       1.482700    
 C   -5.541100      3.6800001E-02   1.299600    
 C   -3.070700     -0.2621000      -1.536700    
 C   -4.403400       2.437100      -1.336100    
 C   -2.873000      -1.772500      -1.458900    
 C   -1.968500      -2.158400     -0.2963000    
 C   0.2328000      -1.803000      0.4808000    
 C    1.511400      -1.114600      0.1712000    
 C    2.694100      -1.680700      0.6010000    
 C    1.477900      6.9300003E-02 -0.5372000    
 C    5.868300       1.194500      0.4148000    
 C    3.888400      0.1629000     -0.4049000    
 C    3.895700      -1.034800      0.3098000    
 C    2.679500      0.7151000     -0.8283000    
 C    7.209800      0.4814000      0.3406000    
 C    6.028500       2.707000      0.3940000    
 H   -2.613900       2.042600     -0.2476000    
 H   -3.484500       1.815400       1.947400    
 H   -4.240000       3.235200       1.239400    
 H   -5.690800     -7.8100003E-02 -0.8559000    
 H   -4.948800      -1.452200     -4.7699999E-02
 H   -5.853300       1.795400       2.510500    
 H   -6.321600       1.990500      0.8250000    
 H   -6.554300     -0.3642000       1.417300    
 H   -4.926600     -0.4143000       2.089600    
 H   -3.704000     -3.7000000E-02  -2.403600    
 H   -2.102700      0.2218000      -1.715700    
 H   -5.454500       2.142400      -1.405900    
 H   -3.934300       2.250400      -2.307300    
 H   -4.375600       3.520300      -1.172800    
 H   -3.810700      -2.334000      -1.431900    
 H   -2.378900      -2.077100      -2.391700    
 H   -1.844400      -3.248000     -0.2938000    
 H   -2.394200      -1.860400      0.6683000    
 H    2.713000      -2.615600       1.153100    
 H   0.5497000      0.5269000     -0.8660000    
 H    5.393300      0.9319000       1.370000    
 H    4.828000      -1.484900      0.6381000    
 H    2.667800       1.649700      -1.382500    
 H    7.859400      0.7686000       1.173100    
 H    7.076800     -0.6049000      0.3633000    
 H    7.722900      0.7141000     -0.5990000    
 H    6.644600       3.054900       1.228800    
 H    5.050200       3.195900      0.4545000    
 H    6.488200       3.038400     -0.5435000    


%chk=000045254-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045254

0 1
O -0.637705 -1.416749 -0.564433
O 5.115763 1.353026 -0.557088
O 0.074632 -2.227059 1.503836
N -4.036965 0.075488 -0.344453
C -3.838124 1.478986 0.130766
C -4.490667 1.637774 1.527856
C -5.457854 -0.343375 -0.404249
C -5.980024 1.219985 1.530915
C -6.128056 -0.216119 0.980126
C -3.250237 -0.284767 -1.545392
C -4.315899 2.573173 -0.870270
C -2.827724 -1.774484 -1.549182
C -1.933947 -2.134367 -0.364180
C 0.297102 -1.545545 0.468851
C 1.548615 -0.793957 0.190877
C 2.572528 -0.806547 1.170926
C 1.756560 -0.068634 -1.015223
C 6.278499 1.370939 0.381838
C 3.978065 0.608232 -0.240093
C 3.782349 -0.116207 0.967811
C 2.957453 0.624059 -1.229281
C 7.084835 0.067661 0.245498
C 7.079546 2.616595 -0.008280
H -2.743491 1.604544 0.256472
H -3.937623 0.995348 2.240340
H -4.379196 2.685920 1.867141
H -6.040560 0.251125 -1.155087
H -5.498589 -1.396781 -0.738810
H -6.388280 1.283254 2.557569
H -6.575747 1.919330 0.910077
H -7.196165 -0.498072 0.901892
H -5.641498 -0.927738 1.675429
H -3.796330 -0.062276 -2.495462
H -2.331199 0.330790 -1.551110
H -5.409762 2.555267 -1.021975
H -3.833785 2.442600 -1.856451
H -4.044596 3.576697 -0.493048
H -3.723246 -2.425447 -1.509717
H -2.304552 -2.004789 -2.497502
H -1.722807 -3.217316 -0.302577
H -2.382233 -1.793835 0.585485
H 2.401048 -1.370488 2.093972
H 0.969639 -0.059958 -1.774284
H 5.890061 1.486185 1.414628
H 4.551819 -0.146532 1.744179
H 3.135042 1.188912 -2.149331
H 7.938028 0.072384 0.948374
H 6.468194 -0.822182 0.458616
H 7.480300 -0.025001 -0.781237
H 7.964500 2.719915 0.645043
H 6.460770 3.524651 0.088569
H 7.422318 2.539184 -1.054870


