%chk=000034635.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034635

0 1
 O  -0.1915000      -1.437900      -1.471800    
 O   -7.623300      -1.316100       1.642500    
 N   -2.059800      0.3349000      -1.166500    
 N   -4.680800      0.2269000      4.8700001E-02
 N    1.454800     -9.9500000E-02 -0.4676000    
 C   -2.266300     -0.2898000      0.1458000    
 C   -3.048500       1.396700      -1.390400    
 C   -3.692800     -0.8357000      0.2723000    
 C   -4.474600      0.8498000      -1.264400    
 C  -0.7003000      0.8584000      -1.284000    
 C   -6.040700     -0.2953000      0.1679000    
 C   0.2216000     -0.3318000      -1.109500    
 C    2.402200      -1.168900     -0.2538000    
 C    1.918700       1.213200     -0.1531000    
 C    3.136000     -0.4700000       2.163800    
 C    2.031300      0.5691000       2.266400    
 C    3.195100      -1.316900      0.9083000    
 C    2.195300       1.578700       1.170900    
 C   -6.287400     -0.8359000       1.567200    
 C    2.577400      -2.106700      -1.297800    
 C    2.086300       2.157700      -1.178200    
 C    4.127100      -2.380500      0.9684000    
 C    2.632500       2.879900       1.455200    
 C    3.497300      -3.152600      -1.210300    
 C    2.521600       3.450100     -0.8859000    
 C    4.276000      -3.289300     -7.4600004E-02
 C    2.792600       3.811500      0.4304000    
 H   -2.087700      0.4405000      0.9483000    
 H   -1.599200      -1.133900      0.3441000    
 H   -2.925500       1.810200      -2.398700    
 H   -2.906100       2.222000     -0.6794000    
 H   -3.837400      -1.666600     -0.4313000    
 H   -3.760400      -1.241200       1.286000    
 H   -5.175200       1.683600      -1.394000    
 H   -4.667400      0.1319000      -2.073300    
 H  -0.5308000       1.271400      -2.284300    
 H  -0.5365000       1.634900     -0.5320000    
 H   -6.244600      -1.077300     -0.5759000    
 H   -6.770200      0.5021000     -2.5100000E-02
 H    3.020700      -1.147500       3.020800    
 H    4.109700      2.6799999E-02   2.277100    
 H    2.083100       1.059100       3.246400    
 H    1.037600      0.1071000       2.210400    
 H   -6.155900     -5.4800000E-02   2.323600    
 H   -5.651600      -1.687800       1.817100    
 H    2.030500      -2.010800      -2.233600    
 H    1.893200       1.890900      -2.214500    
 H    4.744800      -2.508700       1.856200    
 H    2.853400       3.175300       2.477800    
 H    3.610600      -3.846900      -2.037600    
 H    2.650900       4.173100      -1.685900    
 H    4.997800      -4.096400      2.4000001E-03
 H    3.132400       4.817300      0.6592000    
 H   -7.760800      -1.639200       2.549300    


%chk=000034635-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000034635

0 1
O -0.064321 -1.743220 -0.658776
O -8.459721 -0.939122 0.884478
N -2.121132 0.211357 -0.567027
N -4.959970 0.076084 0.035165
N 1.639173 -0.168381 -0.354548
C -2.624870 -0.606521 0.564807
C -3.019932 1.364623 -0.819467
C -4.057670 -1.080205 0.281295
C -4.448583 0.875450 -1.105921
C -0.723754 0.630565 -0.423009
C -6.377524 -0.321424 -0.139742
C 0.282012 -0.539707 -0.507171
C 2.681391 -1.183311 -0.306286
C 2.050954 1.216172 -0.207914
C 3.630051 -0.370244 2.019905
C 2.484508 0.658844 2.208232
C 3.610205 -1.259028 0.770423
C 2.454469 1.665599 1.076720
C -7.061379 -0.598384 1.205631
C 2.760005 -2.095998 -1.389041
C 2.078270 2.081019 -1.323836
C 4.620213 -2.257205 0.694702
C 2.868278 3.010361 1.223425
C 3.758223 -3.086589 -1.428624
C 2.486411 3.423893 -1.161389
C 4.703556 -3.163601 -0.379230
C 2.877848 3.889559 0.115563
H -2.618042 -0.017184 1.518276
H -1.967607 -1.483601 0.677428
H -2.644468 1.925964 -1.696494
H -3.051256 2.064295 0.054908
H -4.036913 -1.769833 -0.599172
H -4.425220 -1.651046 1.153094
H -5.111052 1.749022 -1.252135
H -4.438143 0.282132 -2.054983
H -0.495019 1.351849 -1.229381
H -0.527031 1.182713 0.536320
H -6.493963 -1.217398 -0.796855
H -6.920213 0.510202 -0.625690
H 3.644530 -1.037223 2.904626
H 4.592964 0.180188 2.035742
H 2.633858 1.174244 3.174623
H 1.518594 0.121061 2.267241
H -6.997937 0.309078 1.840261
H -6.566460 -1.438880 1.736625
H 2.018512 -2.024977 -2.188855
H 1.796592 1.695506 -2.310177
H 5.348485 -2.322261 1.513395
H 3.183122 3.369754 2.210453
H 3.800670 -3.786744 -2.269653
H 2.508721 4.097122 -2.025131
H 5.492163 -3.923764 -0.396786
H 3.196437 4.929768 0.245004
H -8.952835 -1.125471 1.721955


