%chk=000052149.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052149

1 1
 O   -1.953300       1.522700     -0.3780000    
 O    3.072400      -2.730100      0.3488000    
 O    4.789800      0.9822000      0.1565000    
 O    5.128300      -1.174200     -0.5742000    
 N   -6.050700      0.2373000      7.2300002E-02
 N   -1.248900     -0.6715000      7.3700003E-02
 C   -4.679300      0.8650000     -0.1306000    
 C   -7.129000       1.281300     -0.1797000    
 C   -6.227700     -0.9197000     -0.9004000    
 C   -6.167000     -0.2777000       1.499700    
 C   -3.597600     -0.1876000      5.4600000E-02
 C   -2.179500      0.3475000     -0.1097000    
 C   0.1613000     -0.5750000      2.9000000E-03
 C   0.9293000      -1.708100      0.2131000    
 C   0.7430000      0.6506000     -0.2754000    
 C    2.319200      -1.613000      0.1426000    
 C    2.920900     -0.3860000     -0.1367000    
 C    2.132800      0.7457000     -0.3455000    
 C    4.370000     -0.2650000     -0.2153000    
 C    6.200000       1.226200      0.1197000    
 C    6.466000       2.649400      0.5616000    
 H   -4.572700       1.684500      0.5903000    
 H   -4.649800       1.288600      -1.141800    
 H   -6.981500       2.106100      0.5239000    
 H   -8.108200      0.8187000     -2.4700001E-02
 H   -7.033800       1.634500      -1.210800    
 H   -5.621300      -1.773300     -0.5875000    
 H   -7.281000      -1.218300     -0.8804000    
 H   -5.957400     -0.5807000      -1.904900    
 H   -5.546500      -1.166700       1.633600    
 H   -5.872800      0.5207000       2.187200    
 H   -7.212300     -0.5530000       1.674500    
 H   -3.631300     -0.6309000       1.054600    
 H   -3.689400     -0.9911000     -0.6836000    
 H   -1.607300      -1.600500      0.2847000    
 H   0.4641000      -2.666200      0.4307000    
 H   0.2031000       1.569200     -0.4507000    
 H    2.571400       1.712800     -0.5785000    
 H    4.018200      -2.514700      0.3279000    
 H    6.567800       1.079300     -0.9017000    
 H    6.707700      0.5269000      0.7931000    
 H    7.536800       2.870600      0.5450000    
 H    5.947900       3.358900     -9.2200004E-02
 H    6.086000       2.815600       1.575000    


%chk=000052149-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052149

1 1
O -2.444052 1.032615 -0.479748
O 3.126789 -2.681730 -0.332032
O 4.577641 1.215629 0.508853
O 5.038223 -1.043465 0.202833
N -5.760147 0.286052 0.212892
N -1.369949 -1.048740 -0.703422
C -4.971180 0.054777 -1.108207
C -6.677156 1.490066 -0.013793
C -6.614256 -0.934538 0.543901
C -4.829937 0.597604 1.387686
C -3.803643 -0.939648 -1.038821
C -2.466862 -0.217534 -0.708708
C 0.006159 -0.730707 -0.455180
C 0.910589 -1.812721 -0.503899
C 0.454457 0.592420 -0.175224
C 2.288437 -1.596672 -0.273102
C 2.757961 -0.267143 0.011473
C 1.823757 0.798867 0.052794
C 4.200930 -0.076585 0.244550
C 6.045913 1.456812 0.746424
C 6.208325 2.949608 0.999244
H -4.565946 1.042015 -1.390100
H -5.728342 -0.263737 -1.843618
H -6.056329 2.387894 -0.151335
H -7.329648 1.617104 0.863447
H -7.288427 1.315746 -0.912512
H -5.968444 -1.818554 0.649521
H -7.144401 -0.754435 1.491720
H -7.342226 -1.098703 -0.265459
H -4.265728 -0.307025 1.657709
H -4.125852 1.385033 1.082837
H -5.446955 0.916103 2.242154
H -3.981614 -1.770533 -0.328815
H -3.718554 -1.415784 -2.035026
H -1.539451 -2.034951 -0.924696
H 0.585367 -2.836793 -0.719621
H -0.253433 1.420068 -0.147610
H 2.196584 1.804544 0.266975
H 4.081422 -2.353605 -0.145314
H 6.592735 1.109160 -0.147507
H 6.353032 0.837923 1.607742
H 7.274422 3.176175 1.180383
H 5.874016 3.539656 0.129308
H 5.633475 3.268730 1.885002


