%chk=000088605.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088605

0 1
 O  -9.2000002E-03  0.9800000      0.1063000    
 O   -8.422700     -0.4916000     -0.6655000    
 N   -4.925800      0.2279000      0.2507000    
 N   -2.083500     -4.6200000E-02  0.2765000    
 N   9.1000004E-03  -1.279900      0.1922000    
 C   -4.285000     -0.9714000     -0.3054000    
 C   -4.060200       1.399000      5.9300002E-02
 C   -2.940800      -1.232600      0.3760000    
 C   -2.701100       1.200500      0.7368000    
 C   -6.231600      0.4471000     -0.3701000    
 C  -0.7151000     -0.1817000      0.1957000    
 C   -7.146100     -0.7326000     -8.7300003E-02
 C    1.286100      0.5641000      4.0600002E-02
 C    1.292800     -0.8076000      9.3199998E-02
 C    2.271500       1.601400     -6.1500002E-02
 C    2.452500      -1.643000      5.2400000E-02
 C    3.475800       1.367300     -0.7339000    
 C    2.036900       2.856600      0.5101000    
 C    3.099500      -2.008000       1.236700    
 C    2.946700      -2.100500      -1.172600    
 C    4.433800       2.376200     -0.8337000    
 C    2.994900       3.865500      0.4103000    
 C    4.230600      -2.823100       1.196200    
 C    4.077900      -2.915600      -1.213000    
 C    4.193400       3.625400     -0.2615000    
 C    4.719900      -3.277100     -2.8600000E-02
 H   -4.139100     -0.8705000      -1.389100    
 H   -4.872400      -1.876100     -0.1300000    
 H   -4.532600       2.288400      0.4936000    
 H   -3.909700       1.597300      -1.010600    
 H   -3.087400      -1.487800       1.433200    
 H   -2.470200      -2.097600     -0.1073000    
 H   -2.080300       2.074700      0.5090000    
 H   -2.821100       1.162900       1.827000    
 H   -6.147900      0.6081000      -1.453200    
 H   -6.699400       1.352800      3.7200000E-02
 H   -7.286800     -0.8789000      0.9887000    
 H   -6.804600      -1.673400     -0.5232000    
 H   -8.296000     -0.3829000      -1.623500    
 H    3.695800      0.4277000      -1.224100    
 H    1.114700       3.070100       1.045800    
 H    2.731600      -1.663100       2.200400    
 H    2.457500      -1.830400      -2.105900    
 H    5.363900       2.192200      -1.363400    
 H    2.808500       4.837800      0.8569000    
 H    4.730600      -3.104400       2.118500    
 H    4.458700      -3.269200      -2.166600    
 H    4.938700       4.411400     -0.3405000    
 H    5.600600      -3.911800     -6.0100000E-02


%chk=000088605-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088605

0 1
O 0.040632 1.091567 0.419324
O -8.577144 -0.420864 -0.698217
N -4.877397 0.161425 -0.042425
N -2.062852 -0.015784 0.384234
N 0.048887 -1.180823 0.070424
C -4.127691 -1.041234 -0.487965
C -4.027958 1.373291 -0.156899
C -2.876992 -1.246671 0.384929
C -2.771532 1.231487 0.724813
C -6.197254 0.305268 -0.698823
C -0.702616 -0.098626 0.286558
C -7.264346 -0.610549 -0.062229
C 1.418229 0.677825 0.241977
C 1.393247 -0.708433 0.059636
C 2.390005 1.768532 0.222003
C 2.486308 -1.691638 -0.068566
C 3.622589 1.658139 -0.486345
C 2.098031 2.996210 0.886736
C 3.763947 -1.491481 0.523448
C 2.236282 -2.911939 -0.754905
C 4.538258 2.729188 -0.503129
C 3.015736 4.065852 0.860059
C 4.770725 -2.472408 0.404744
C 3.245994 -3.889352 -0.875644
C 4.245093 3.938712 0.171525
C 4.520758 -3.673271 -0.301211
H -3.815338 -0.949795 -1.559582
H -4.774143 -1.931806 -0.396967
H -4.608810 2.248872 0.185539
H -3.709014 1.559384 -1.213776
H -3.190413 -1.485205 1.422236
H -2.255127 -2.072580 0.004458
H -2.094355 2.086167 0.570428
H -3.078922 1.208056 1.791160
H -6.141936 0.104350 -1.801642
H -6.540991 1.349211 -0.582297
H -7.413947 -0.332245 0.992026
H -6.956485 -1.676672 -0.102590
H -8.518015 -0.690965 -1.649700
H 3.850980 0.741601 -1.038968
H 1.149283 3.098862 1.422766
H 3.960888 -0.580399 1.097874
H 1.240445 -3.077475 -1.177513
H 5.478218 2.624437 -1.056731
H 2.773195 4.999502 1.380199
H 5.747068 -2.304910 0.873566
H 3.038269 -4.821596 -1.413101
H 4.958829 4.769574 0.153476
H 5.304784 -4.433390 -0.392213


