%chk=000034864.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034864

0 1
 O  -4.7499999E-02   1.966900      -1.779200    
 N    2.260000      0.3918000      0.1295000    
 N   -1.726800      0.3121000       2.059100    
 C    2.256700     -0.4447000      -1.078900    
 C    3.613600      0.5114000      0.6891000    
 C    2.785300      -1.848300     -0.7797000    
 C    4.186500     -0.8610000       1.046300    
 C    4.176100      -1.796400     -0.1573000    
 C    1.708300       1.714600     -0.1626000    
 C   0.2763000       1.567300     -0.6598000    
 C  -0.7191000      0.9341000      0.2261000    
 C   -1.840000      0.1949000     -0.1659000    
 C   -2.471400     -0.1941000       1.017500    
 C  -0.6498000       1.005700       1.576300    
 C   -2.404200     -0.1973000      -1.396000    
 C   -3.643300     -0.9587000       1.032300    
 C   -3.576200     -0.9623000      -1.396700    
 C   -4.184600      -1.336100     -0.2000000    
 H    2.864600      1.3200000E-02  -1.870800    
 H    1.246100     -0.5726000      -1.481400    
 H    3.584500       1.117200       1.602900    
 H    4.284900       1.018100     -1.6899999E-02
 H    2.816800      -2.437200      -1.703400    
 H    2.097400      -2.361900     -9.5899999E-02
 H    3.597300      -1.304600       1.859100    
 H    5.211100     -0.7490000       1.418700    
 H    4.491400      -2.801300      0.1441000    
 H    4.897900      -1.441400     -0.9031000    
 H    1.700300       2.356300      0.7259000    
 H    2.292900       2.234300     -0.9325000    
 H   4.3299999E-02   1.476300       2.259600    
 H   -1.945100      0.1896000       3.038200    
 H   -1.943900      8.0899999E-02  -2.339600    
 H   -4.117500      -1.250200       1.963400    
 H   -4.015400      -1.268400      -2.342500    
 H   -5.094300      -1.930600     -0.2237000    


%chk=000034864-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034864

0 1
O -0.276263 1.700318 -2.075239
N 2.379827 0.364297 0.012828
N -1.467194 -0.795120 1.669345
C 2.563039 -0.757672 -0.949597
C 3.684875 0.817439 0.568705
C 3.250325 -1.959442 -0.272395
C 4.405955 -0.335795 1.295010
C 4.603332 -1.542111 0.348237
C 1.632148 1.490316 -0.598819
C 0.166414 1.195384 -0.991385
C -0.704769 0.425544 -0.099299
C -2.131291 0.167889 -0.298411
C -2.582506 -0.599496 0.827910
C -0.349603 -0.186566 1.118373
C -3.060660 0.514744 -1.311909
C -3.916898 -1.031345 0.974749
C -4.397413 0.086523 -1.174397
C -4.821805 -0.676413 -0.047883
H 3.173352 -0.425391 -1.829563
H 1.569790 -1.052492 -1.334102
H 3.492512 1.652035 1.269605
H 4.350541 1.211529 -0.243798
H 3.393395 -2.766473 -1.016098
H 2.583358 -2.352567 0.520200
H 3.797461 -0.645376 2.167707
H 5.380065 0.023744 1.678702
H 5.061237 -2.390459 0.891133
H 5.306721 -1.259884 -0.462443
H 1.611000 2.323813 0.133293
H 2.120899 1.878093 -1.525153
H 0.642342 -0.227616 1.564671
H -1.479399 -1.314924 2.544998
H -2.726540 1.100781 -2.171500
H -4.244852 -1.616911 1.840843
H -5.128747 0.344375 -1.948459
H -5.868447 -0.992171 0.026343


