%chk=000032844.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032844

0 1
 O    7.834000     -0.3651000     -0.3275000    
 O   -7.231400     -0.2116000       1.329500    
 N   -5.519700     -0.1292000     -0.2391000    
 N    5.064800     -0.4793000      0.3205000    
 C   -2.756200      0.6577000     -0.6246000    
 C   -3.614300       1.238200      0.5154000    
 C   -3.262100     -0.7441000      -1.015300    
 C   -5.097200       1.217900      0.1488000    
 C   -4.754600     -0.7180000      -1.344900    
 C   -1.278700      0.6543000     -0.2807000    
 C  -0.3862000       1.402700      -1.045200    
 C  -0.8190000     -9.6900001E-02  0.7989000    
 C    3.648300     -0.4707000     -3.9200000E-02
 C    2.887400      0.6457000      0.6902000    
 C    1.435100      0.6488000      0.3518000    
 C   -6.589700     -0.7373000      0.4163000    
 C    5.710700      0.7808000     -7.2300002E-02
 C    5.755200      -1.615500     -0.3056000    
 C   0.9723000       1.399900     -0.7285000    
 C   0.5394000     -9.9500000E-02   1.115600    
 C    7.189700      0.7434000      0.3015000    
 C    7.232800      -1.596500      7.4800000E-02
 C   -6.960600      -2.125600     -4.0199999E-02
 H   -2.901100       1.307700      -1.499700    
 H   -3.304900       2.266900      0.7368000    
 H   -3.473100      0.6590000       1.436700    
 H   -3.097300      -1.455100     -0.1958000    
 H   -2.702200      -1.121100      -1.879900    
 H   -5.690300       1.585700      0.9920000    
 H   -5.292100       1.881100     -0.7024000    
 H   -4.938700     -9.9699996E-02  -2.231600    
 H   -5.090000      -1.728800      -1.583100    
 H    3.518700     -0.3662000      -1.125200    
 H    3.199800      -1.433800      0.2385000    
 H  -0.7311000       1.992500      -1.890000    
 H   -1.498200     -0.6874000       1.407000    
 H    3.274900       1.639300      0.4417000    
 H    3.014700      0.5398000       1.775900    
 H    5.288000       1.643100      0.4495000    
 H    5.609000      0.9443000      -1.152900    
 H    5.659300      -1.564000      -1.398000    
 H    5.314700      -2.561200      3.0200001E-02
 H    1.659900       1.985300      -1.333300    
 H   0.8879000     -0.6904000       1.958700    
 H    7.685500       1.655700     -4.5400001E-02
 H    7.332000      0.6813000       1.387300    
 H    7.375200      -1.738500       1.153100    
 H    7.760000      -2.407100     -0.4382000    
 H   -7.262800      -2.110400      -1.090800    
 H   -7.805700      -2.489900      0.5522000    
 H   -6.120700      -2.809500      0.1085000    


%chk=000032844-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000032844

0 1
O 7.992965 -0.661174 -0.259025
O -7.299412 -0.396779 1.341775
N -5.602473 -0.213566 -0.240258
N 5.137318 -0.383869 0.238865
C -2.828693 0.725281 -0.558860
C -3.727129 1.184200 0.624939
C -3.286183 -0.684782 -1.031956
C -5.223827 1.130767 0.249058
C -4.795266 -0.701102 -1.374854
C -1.339443 0.761882 -0.224476
C -0.443965 1.555645 -0.983955
C -0.803916 0.001603 0.848966
C 3.697256 -0.292785 -0.100884
C 2.962814 0.829753 0.681144
C 1.470771 0.830832 0.385703
C -6.658387 -0.895848 0.362303
C 5.940326 0.738800 -0.312959
C 5.731471 -1.682886 -0.176130
C 0.936462 1.589447 -0.685609
C 0.574402 0.036633 1.147270
C 7.401265 0.623214 0.150955
C 7.192593 -1.767257 0.293244
C -7.022511 -2.274403 -0.195869
H -3.006539 1.428909 -1.401058
H -3.459254 2.215778 0.922214
H -3.551827 0.534245 1.503549
H -3.085262 -1.424834 -0.233100
H -2.703072 -0.992180 -1.921152
H -5.868998 1.356196 1.113629
H -5.435521 1.875945 -0.547805
H -4.973759 -0.044109 -2.254565
H -5.111692 -1.717694 -1.653601
H 3.535091 -0.141522 -1.199302
H 3.226709 -1.260115 0.160067
H -0.834063 2.156881 -1.815155
H -1.468289 -0.619027 1.462956
H 3.394293 1.813495 0.416398
H 3.152953 0.667156 1.757952
H 5.527540 1.699790 0.044254
H 5.909809 0.745157 -1.433009
H 5.699055 -1.814877 -1.287670
H 5.150122 -2.505280 0.282575
H 1.606217 2.218829 -1.285334
H 0.962827 -0.553058 1.987537
H 8.029705 1.399363 -0.316440
H 7.446664 0.719952 1.257340
H 7.227805 -1.735991 1.403762
H 7.675146 -2.690274 -0.068681
H -7.322994 -2.225312 -1.258432
H -7.871321 -2.650099 0.393840
H -6.186385 -2.992230 -0.108159


