%chk=000018110.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018110

0 1
 O    1.515400      -2.253500       1.923400    
 N   -2.537600     -0.3134000     -0.3170000    
 N    3.443400      -1.697400      0.8282000    
 C    1.298300     -0.9067000     -0.1184000    
 C  -0.2290000     -0.9380000      0.2370000    
 C   -1.146300     -0.2146000     -0.7575000    
 C   -2.708700      0.3295000      0.9935000    
 C   -3.437100      0.2752000      -1.319000    
 C   -4.148200      0.1921000       1.491600    
 C   -4.900600      0.1360000     -0.8965000    
 C   -5.141400      0.7493000      0.4781000    
 C    1.558600      -1.634300      -1.479800    
 C    1.782100      0.5637000     -0.1015000    
 C    2.072700      -1.685300      0.9846000    
 C    1.138700      -3.102100      -1.530000    
 C    1.613500       1.280700       1.050900    
 C    2.351800       1.064300      -1.239400    
 C    2.049500       2.605600       1.066300    
 C    2.788000       2.389200      -1.223800    
 C    2.636800       3.159700     -7.0900001E-02
 H  -0.3269000     -0.5295000       1.244500    
 H  -0.5629000      -1.980400      0.3298000    
 H  -0.8503000      0.8348000     -0.8729000    
 H   -1.054200     -0.6916000      -1.739100    
 H   -2.429300       1.390300      0.9525000    
 H   -2.110500     -0.1421000       1.775600    
 H   -3.310700     -0.2380000      -2.280100    
 H   -3.200800       1.335100      -1.481700    
 H   -4.262600      0.7182000       2.446300    
 H   -4.373900     -0.8654000       1.680100    
 H   -5.177800     -0.9258000     -0.8767000    
 H   -5.547300      0.6213000      -1.636100    
 H   -6.167000      0.5475000      0.8060000    
 H   -5.030100       1.838800      0.4175000    
 H    1.046100      -1.119400      -2.301300    
 H    2.628400      -1.616200      -1.725600    
 H    1.624400      -3.693900     -0.7491000    
 H    1.423700      -3.533900      -2.495600    
 H   5.5500001E-02  -3.215700      -1.432700    
 H    1.177600      0.8662000       1.952900    
 H    2.493500      0.5175000      -2.161600    
 H    4.036400      -2.181900       1.493800    
 H    3.914700      -1.222500      6.5700002E-02
 H    1.935900       3.204500       1.965300    
 H    3.245200       2.821900      -2.109000    
 H    2.977300       4.191000     -5.8499999E-02


%chk=000018110-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000018110

0 1
O 1.591243 -2.784477 1.532910
N -2.540026 -0.271797 -0.199543
N 3.489631 -1.635326 0.885441
C 1.319718 -0.959457 -0.148149
C -0.181979 -0.991596 0.289041
C -1.136053 -0.273329 -0.686705
C -2.770821 0.698026 0.902165
C -3.511833 -0.058480 -1.303389
C -4.197045 0.562293 1.474097
C -4.963298 -0.220110 -0.807674
C -5.253390 0.748342 0.361294
C 1.515999 -1.599010 -1.569088
C 1.851854 0.493163 -0.089603
C 2.123936 -1.860131 0.850089
C 1.020800 -3.053536 -1.707592
C 1.875792 1.165750 1.165528
C 2.309966 1.206151 -1.227888
C 2.326707 2.496403 1.277757
C 2.763897 2.542722 -1.120224
C 2.772906 3.196052 0.130854
H -0.258169 -0.536747 1.293419
H -0.501748 -2.039022 0.414307
H -0.769975 0.766235 -0.888836
H -1.133501 -0.807811 -1.655953
H -2.616688 1.751689 0.541562
H -2.030430 0.516274 1.701139
H -3.300404 -0.797695 -2.099087
H -3.394143 0.963583 -1.756353
H -4.342306 1.308065 2.279669
H -4.304177 -0.443956 1.922856
H -5.107462 -1.263876 -0.467542
H -5.661444 -0.040076 -1.648213
H -6.272523 0.583437 0.759706
H -5.215278 1.793883 -0.009772
H 0.990703 -0.970471 -2.313581
H 2.592354 -1.559606 -1.829935
H 1.503327 -3.722426 -0.974167
H 1.247048 -3.433726 -2.720648
H -0.070268 -3.131625 -1.556248
H 1.543326 0.634411 2.065946
H 2.311705 0.730623 -2.213223
H 4.064055 -2.230198 1.481998
H 3.909086 -0.831608 0.419352
H 2.333235 2.987888 2.257293
H 3.107367 3.070868 -2.017186
H 3.122606 4.231036 0.213975


