%chk=000163655.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163655

0 1
 O   -1.866500       2.276000       1.063900    
 O    4.621300       1.062300     -0.2235000    
 N  -0.3541000       1.066000     -0.2160000    
 N    2.128500     -0.2691000     -8.7399997E-02
 C   -5.290100      0.2741000     -0.2786000    
 C   -6.595000      0.7893000      0.3433000    
 C   -5.099000      -1.220600      1.2300000E-02
 C   -4.095600       1.079400      0.2294000    
 C   -7.798600     -3.4800000E-02 -0.1083000    
 C   -6.305100      -2.041300     -0.4389000    
 C   -7.601300      -1.520900      0.1744000    
 C   -2.775000      0.6077000     -0.3533000    
 C   -1.630800       1.395900      0.2323000    
 C  -3.5799999E-02  4.6999998E-02  -1.218000    
 C   0.8141000       1.776100      0.2986000    
 C   0.9674000     -0.9630000     -0.6613000    
 C    1.828400      0.7956000      0.8832000    
 C    3.342800     -0.9512000      5.0600000E-02
 C    4.590600     -0.2846000     -1.7500000E-02
 C    3.369200      -2.349900      0.2662000    
 C    5.793500     -0.9771000      0.1223000    
 C    4.572200      -3.042100      0.4058000    
 C    5.784200      -2.355800      0.3338000    
 C    5.905600       1.679100     -0.2826000    
 C    5.729400       3.162100     -0.5305000    
 H   -5.356300      0.4056000      -1.367500    
 H   -6.526700      0.7553000       1.438200    
 H   -6.752300       1.838900      6.7500003E-02
 H   -4.229200      -1.621200     -0.5173000    
 H   -4.930500      -1.379000       1.085000    
 H   -4.060000       1.018600       1.325700    
 H   -4.247800       2.139200     -1.4700000E-02
 H   -7.959900      0.1142000      -1.183000    
 H   -8.700800      0.3207000      0.4021000    
 H   -6.380600      -2.008800      -1.532900    
 H   -6.161700      -3.091500     -0.1602000    
 H   -7.584000      -1.686800       1.258600    
 H   -8.451000      -2.088000     -0.2221000    
 H   -2.783500      0.7314000      -1.441300    
 H   -2.586300     -0.4396000     -0.1030000    
 H   0.3956000      0.5722000      -2.079100    
 H  -0.9228000     -0.4796000      -1.574100    
 H    1.255500       2.326900     -0.5409000    
 H   0.5247000       2.508900       1.058300    
 H   0.4838000      -1.570800      0.1137000    
 H    1.272400      -1.627700      -1.478700    
 H    2.714100       1.356800       1.195000    
 H    1.413200      0.3330000       1.788200    
 H    2.445600      -2.919100      0.3424000    
 H    6.773900     -0.5161000      8.0200002E-02
 H    4.565300      -4.115100      0.5738000    
 H    6.720100      -2.896000      0.4439000    
 H    6.493200       1.270200      -1.113500    
 H    6.435800       1.557500      0.6697000    
 H    5.132900       3.617900      0.2669000    
 H    5.190100       3.335000      -1.467700    
 H    6.697000       3.669300     -0.5814000    


%chk=000163655-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163655

0 1
O -1.723642 2.289574 1.001555
O 4.674165 1.118207 -0.105782
N -0.294155 0.958226 -0.253097
N 2.278692 -0.316083 -0.135295
C -5.330119 0.201560 -0.249857
C -6.635135 0.894398 0.225210
C -5.343283 -1.294242 0.166253
C -4.093004 0.964155 0.286282
C -7.905763 0.164331 -0.269261
C -6.612317 -2.031065 -0.326888
C -7.900363 -1.323466 0.155174
C -2.750673 0.459446 -0.280795
C -1.563176 1.308143 0.207117
C 0.032708 -0.149443 -1.167127
C 0.892440 1.726252 0.182685
C 1.091322 -1.089554 -0.542901
C 1.938631 0.786579 0.805871
C 3.514748 -1.002088 0.012838
C 4.762295 -0.283704 0.024887
C 3.581473 -2.420760 0.087566
C 5.989942 -0.972735 0.132016
C 4.813258 -3.108821 0.169909
C 6.021451 -2.386070 0.201122
C 5.931644 1.885914 -0.188957
C 5.544124 3.350393 -0.379971
H -5.314478 0.243735 -1.363518
H -6.638720 0.924134 1.335722
H -6.641920 1.948068 -0.118552
H -4.443497 -1.812323 -0.220788
H -5.293120 -1.352070 1.274896
H -4.066566 0.901706 1.391601
H -4.190834 2.041026 0.051578
H -7.955151 0.225807 -1.376682
H -8.810934 0.670638 0.119485
H -6.608651 -2.060876 -1.436756
H -6.599248 -3.083019 0.020212
H -7.957485 -1.386628 1.261961
H -8.795164 -1.840808 -0.242898
H -2.787582 0.472797 -1.390081
H -2.585108 -0.596309 0.012310
H 0.447578 0.265504 -2.108988
H -0.870674 -0.728098 -1.412254
H 1.339591 2.238991 -0.692234
H 0.550928 2.479304 0.911169
H 0.630495 -1.631811 0.318760
H 1.387045 -1.835023 -1.302227
H 2.851636 1.354820 1.031539
H 1.532259 0.364792 1.754408
H 2.652261 -2.998723 0.100629
H 6.932680 -0.417936 0.141358
H 4.819541 -4.202793 0.224619
H 6.982717 -2.905177 0.275489
H 6.532557 1.513366 -1.043817
H 6.516334 1.743383 0.743150
H 4.949311 3.714554 0.475384
H 4.946606 3.477749 -1.298702
H 6.452430 3.974570 -0.463329


