%chk=000170702.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170702

0 1
 O  -0.4020000     -0.4404000      0.1025000    
 O   0.5312000      -2.335200       1.018100    
 N    3.330800       2.798400     -6.9799997E-02
 N    5.370000      -1.600900     -0.6502000    
 C   -2.766500      5.2299999E-02 -0.1494000    
 C   -4.160200     -0.6080000     -9.1200002E-02
 C   -2.677700       1.407300      0.5880000    
 C   -5.273100      0.2542000     -0.6959000    
 C   -1.707500     -0.9499000      0.3386000    
 C   -6.654000     -0.4027000     -0.6178000    
 C   -2.958700       1.350000       2.083200    
 C   -7.767400      0.4592000      -1.193100    
 C   0.6312000      -1.237600      0.4920000    
 C    1.935300     -0.5937000      0.1931000    
 C    3.025500      -1.392600     -8.4899999E-02
 C    2.016900      0.7838000      0.2029000    
 C    4.359000      0.6029000     -0.3613000    
 C    3.242100       1.388700     -7.7200003E-02
 C    4.250700     -0.7877000     -0.3651000    
 C    5.674400       1.251900     -0.6624000    
 H   -2.542600      0.2680000      -1.203800    
 H   -4.127800      -1.558500     -0.6396000    
 H   -4.413300     -0.8615000      0.9451000    
 H   -3.359700       2.129100      0.1253000    
 H   -1.673500       1.825800      0.4448000    
 H   -5.033700      0.4747000      -1.743200    
 H   -5.329600       1.213800     -0.1711000    
 H   -1.814900      -1.889800     -0.2175000    
 H   -1.836200      -1.170400       1.404400    
 H   -6.631900      -1.358500      -1.154800    
 H   -6.889300     -0.6310000      0.4285000    
 H   -2.877200       2.353800       2.513400    
 H   -2.241700      0.7113000       2.606200    
 H   -3.968700      0.9850000       2.289800    
 H   -8.728600     -5.7900000E-02  -1.113600    
 H   -7.844800       1.408300     -0.6532000    
 H   -7.584000      0.6788000      -2.249600    
 H    2.938700      -2.476000     -9.0800002E-02
 H    1.157000       1.406100      0.4363000    
 H    5.767200       1.435300      -1.737400    
 H    5.807300       2.197800     -0.1287000    
 H    6.525100      0.6488000     -0.3309000    
 H    4.148800       3.279700     -0.4134000    
 H    2.501300       3.341400      0.1341000    
 H    5.257700      -2.606900     -0.6523000    
 H    6.229900      -1.211800      -1.007900    


%chk=000170702-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170702

0 1
O -0.434882 -0.389940 -0.071776
O 0.510281 -2.433920 0.520125
N 3.366453 2.736785 -1.077715
N 5.560309 -1.474963 0.191017
C -2.829432 0.092379 -0.120940
C -4.236828 -0.564156 -0.184666
C -2.711099 1.234660 0.929252
C -5.383531 0.417655 -0.514398
C -1.779273 -1.007120 0.099666
C -6.744083 -0.292259 -0.702087
C -3.076192 0.842770 2.379422
C -7.895692 0.686102 -1.018641
C 0.658285 -1.234644 0.167819
C 1.964155 -0.550073 -0.044474
C 3.137790 -1.305576 0.168504
C 2.038692 0.795942 -0.465686
C 4.512330 0.668795 -0.407151
C 3.309788 1.402393 -0.653691
C 4.409898 -0.703831 -0.019110
C 5.867376 1.339492 -0.547461
H -2.623078 0.541116 -1.116134
H -4.221041 -1.359901 -0.959290
H -4.458139 -1.075782 0.774803
H -3.353956 2.078190 0.610274
H -1.670015 1.609455 0.905470
H -5.133380 0.978941 -1.439268
H -5.481532 1.172891 0.291480
H -1.882683 -1.823183 -0.640227
H -1.837311 -1.456268 1.108381
H -6.656107 -1.038361 -1.518187
H -6.985119 -0.865327 0.216694
H -2.931936 1.702976 3.058493
H -2.441684 0.019188 2.755338
H -4.131195 0.524066 2.466542
H -8.854559 0.153086 -1.155620
H -8.030733 1.418971 -0.200582
H -7.689204 1.254132 -1.945528
H 3.045851 -2.353732 0.472303
H 1.118854 1.357590 -0.651139
H 6.273795 1.277302 -1.578076
H 5.819172 2.410062 -0.272682
H 6.615973 0.892872 0.132818
H 4.240932 3.177412 -1.340385
H 2.505813 3.255920 -1.221112
H 5.468609 -2.440199 0.492733
H 6.483827 -1.136510 -0.054907


