%chk=000031666.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031666

0 1
 O   -1.716500      -1.926400     -0.5347000    
 O    1.786400      -2.063300      5.0900001E-02
 N   0.3895000     -0.2054000      0.2505000    
 N    3.737100      0.2643000     -0.1061000    
 C    1.466200      0.7280000      0.4451000    
 C    1.868800       1.418000     -0.8547000    
 C    2.745100      5.9799999E-02  0.9516000    
 C    3.377200       1.521200     -0.7543000    
 C  -0.9537000      0.2635000      0.1842000    
 C   0.6630000      -1.563000      0.1006000    
 C   -1.964900     -0.6224000     -0.2057000    
 C  -0.5709000      -2.442800      0.1069000    
 C   -1.299900       1.596400      0.4510000    
 C   -3.286300     -0.1887000     -0.3457000    
 C   -2.624600       2.025900      0.3302000    
 C   -3.616500       1.135000     -6.9799997E-02
 H    1.190200       1.463500       1.208900    
 H    1.399700       2.400900     -0.9635000    
 H    1.590000      0.8175000      -1.730400    
 H    3.101800      0.6932000       1.780300    
 H    2.746700     -0.9132000       1.442900    
 H    3.852000       1.625500      -1.734000    
 H    3.678600       2.371700     -0.1322000    
 H    3.641000     -0.4929000     -0.7838000    
 H  -0.3146000      -3.381100     -0.3975000    
 H  -0.8162000      -2.687800       1.148000    
 H  -0.5735000       2.345000      0.7481000    
 H   -4.061500     -0.8793000     -0.6669000    
 H   -2.879100       3.060900      0.5403000    
 H   -4.643500       1.472900     -0.1716000    


%chk=000031666-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031666

0 1
O -1.719711 -1.738508 -0.963521
O 1.847347 -1.831106 -0.316069
N 0.330131 -0.067246 0.011594
N 3.768613 0.332153 0.509628
C 1.420700 0.960777 0.060111
C 2.251836 1.045632 -1.264174
C 2.504909 0.713381 1.185199
C 3.735277 1.096662 -0.768978
C -1.046396 0.309474 0.210158
C 0.656086 -1.399573 -0.229173
C -2.066999 -0.531846 -0.320008
C -0.526691 -2.361614 -0.356959
C -1.438994 1.494324 0.880279
C -3.424490 -0.172333 -0.252586
C -2.802742 1.853879 0.961971
C -3.796592 1.033141 0.382278
H 0.914210 1.921208 0.230816
H 1.965859 1.926772 -1.864820
H 2.090247 0.143191 -1.875151
H 2.661440 1.662862 1.733281
H 2.193588 -0.057112 1.908907
H 4.444206 0.667244 -1.495994
H 4.038416 2.143282 -0.570122
H 3.726761 -0.677598 0.295674
H -0.233606 -3.183947 -1.024552
H -0.787855 -2.772006 0.641303
H -0.692545 2.139896 1.352064
H -4.165346 -0.845433 -0.694365
H -3.083757 2.774649 1.483195
H -4.852305 1.316695 0.438613


