%chk=000020674.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020674

0 1
 O   0.5852000      -1.421700      0.9708000    
 O   -1.612600     -0.4417000       2.128100    
 O   -1.021700      -2.424600     -0.3332000    
 N    3.041400     -0.9639000     -0.3455000    
 C    3.747500     -0.6011000      -1.582400    
 C    3.976000      -1.093600      0.7812000    
 C    4.500500      0.7203000      -1.420800    
 C    4.736700      0.2116000       1.020100    
 C    5.463100      0.6689000     -0.2398000    
 C    2.288600      -2.204100     -0.5311000    
 C    1.468900      -2.505400      0.7120000    
 C   -1.487100     -0.2568000      0.7033000    
 C  -0.6532000      -1.499400      0.3806000    
 C   -2.869800     -0.2474000      4.6700001E-02
 C  -0.7386000       1.047100      0.4177000    
 C   -2.948500     -0.1148000      -1.320300    
 C  -0.8876000       2.097500       1.294000    
 C   -3.980400     -0.3725000      0.8490000    
 C   5.5000000E-02   1.119100     -0.7040000    
 C   -4.208400     -0.1065000      -1.918800    
 C  -0.2052000       3.285900       1.034000    
 C   -5.240300     -0.3643000      0.2504000    
 C   0.7374000       2.307600     -0.9638000    
 C   -5.354200     -0.2312000      -1.133500    
 C   0.6073000       3.390900     -9.4700001E-02
 H    4.450200      -1.391500      -1.877500    
 H    3.026800     -0.4831000      -2.400700    
 H    3.461400      -1.294400       1.724200    
 H    4.688400      -1.911200      0.6101000    
 H    3.784900       1.537900      -1.271400    
 H    5.054300      0.9453000      -2.339200    
 H    4.035300      0.9928000       1.340500    
 H    5.458800      7.7100001E-02   1.833400    
 H    5.913300       1.654400     -7.8100003E-02
 H    6.280800     -2.7000001E-02 -0.4640000    
 H    1.607300      -2.085100      -1.382400    
 H    2.952000      -3.049000     -0.7533000    
 H   0.9108000      -3.438500      0.5604000    
 H    2.064400      -2.695400       1.608400    
 H   -2.076100     -4.0800001E-02  -1.958400    
 H   -1.526000       2.042200       2.169900    
 H   -3.931700     -0.4762000       1.927400    
 H   0.1735000      0.2916000      -1.395600    
 H  -0.7543000     -0.2499000       2.544700    
 H   -4.297200     -8.6000003E-03  -2.996900    
 H  -0.3091000       4.130700       1.708600    
 H   -6.133100     -0.4613000      0.8614000    
 H    1.368700       2.390000      -1.843700    
 H   -6.335200     -0.2261000      -1.599500    
 H    1.138000       4.316500     -0.2977000    


%chk=000020674-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020674

0 1
O 0.450858 -1.694411 0.753377
O -1.235629 -0.215017 2.063280
O -0.686822 -1.604632 -1.273707
N 3.135628 -1.140184 -0.444413
C 4.006467 -0.725990 -1.579804
C 3.917964 -1.315583 0.807366
C 4.759995 0.582081 -1.271309
C 4.661366 -0.017544 1.183965
C 5.579184 0.449558 0.032224
C 2.336727 -2.327671 -0.820679
C 1.316237 -2.791097 0.229486
C -1.329189 -0.055729 0.599446
C -0.524982 -1.189568 -0.109034
C -2.814967 -0.196147 0.227564
C -0.729431 1.318511 0.207397
C -3.239510 0.030984 -1.105564
C -1.542159 2.476968 0.301184
C -3.765729 -0.565246 1.207137
C 0.642393 1.461439 -0.125177
C -4.599460 -0.113433 -1.452448
C -0.998638 3.756067 0.060707
C -5.129248 -0.704344 0.858193
C 1.180990 2.745414 -0.371150
C -5.551073 -0.480815 -0.471586
C 0.367149 3.896244 -0.280360
H 4.754357 -1.528941 -1.817576
H 3.367861 -0.596960 -2.473716
H 3.225278 -1.587425 1.623359
H 4.660083 -2.151953 0.701165
H 4.024915 1.403458 -1.165934
H 5.417817 0.833357 -2.125269
H 3.912026 0.767918 1.402756
H 5.246488 -0.187766 2.107939
H 6.064345 1.410503 0.286661
H 6.390248 -0.293412 -0.117007
H 1.800408 -2.093043 -1.756437
H 2.985678 -3.223013 -1.025170
H 0.665940 -3.562364 -0.221449
H 1.789242 -3.189890 1.140007
H -2.507526 0.311259 -1.869416
H -2.599271 2.374317 0.566832
H -3.425215 -0.732600 2.231756
H 1.309846 0.589549 -0.188950
H -0.293011 -0.441220 2.275675
H -4.916323 0.059872 -2.487022
H -1.639002 4.641869 0.138927
H -5.858675 -0.986752 1.625966
H 2.240851 2.844675 -0.633848
H -6.607562 -0.590272 -0.742277
H 0.789283 4.889279 -0.472464


