%chk=000098052.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098052

0 1
 O   -1.037300      -1.055900       1.039800    
 O    3.638600      -3.036700       1.025200    
 O    1.514600      -2.874900      0.1754000    
 N   0.9675000     -0.2046000     -0.3609000    
 N   -3.670800      -1.799900      0.9524000    
 C   5.2200001E-02  0.9223000     -0.6613000    
 C   -1.385400      0.5205000     -0.7136000    
 C   0.3046000       2.106500      0.2776000    
 C   -1.885100     -0.4620000      0.1447000    
 C   -2.228200       1.136600      -1.630300    
 C    2.291300     -0.1782000     -0.6910000    
 C   -3.221700     -0.8497000      0.1108000    
 C   -4.071800     -0.2198000     -0.8224000    
 C   -3.569400      0.7683000      -1.685900    
 C   5.5900000E-02   3.376800     -0.1861000    
 C   0.7692000       1.851400       1.546400    
 C    3.172000      -1.255200     -0.4053000    
 C    2.854700      0.9473000      -1.346600    
 C   -5.417500     -0.6096000     -0.8570000    
 C   0.2854000       4.455000      0.6686000    
 C   0.9987000       2.929700       2.401100    
 C   0.7568000       4.231400       1.962100    
 C    4.522400      -1.208500     -0.7520000    
 C    4.205000      0.9938000      -1.693100    
 C   -5.883000      -1.588600      8.9999996E-03
 C    5.038800     -8.3999999E-02  -1.395800    
 C   -4.976400      -2.147400      0.8868000    
 C    2.663500      -2.444500      0.2664000    
 C    3.255300      -4.220200       1.735000    
 H   0.2858000       1.241300      -1.686800    
 H   0.6175000     -0.9895000      0.1726000    
 H   -1.862800       1.900300      -2.311000    
 H   -4.220700       1.256200      -2.407700    
 H  -0.3039000       3.562500      -1.192800    
 H   0.9491000      0.8506000       1.924200    
 H    2.272300       1.822400      -1.614900    
 H   -6.110500     -0.1522000      -1.559400    
 H   9.8600000E-02   5.468600      0.3263000    
 H    1.361700       2.755800       3.409900    
 H   0.9349000       5.070900       2.627900    
 H    5.197000      -2.036300     -0.5495000    
 H   -1.541400      -1.709600       1.554600    
 H    4.608000       1.868200      -2.195900    
 H   -6.920200      -1.902100     -4.1999999E-03
 H    6.089400     -4.8900001E-02  -1.669200    
 H   -5.282900      -2.917300       1.587400    
 H    2.451900      -3.993100       2.442200    
 H    4.124500      -4.577800       2.293400    
 H    2.944300      -4.998400       1.031700    


%chk=000098052-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000098052

0 1
O -1.149858 -0.668599 1.449559
O 3.631701 -3.496997 0.447529
O 1.502030 -2.594576 0.674714
N 1.090890 -0.118459 -0.309704
N -3.679031 -1.472580 1.302973
C 0.170943 0.975839 -0.649371
C -1.276312 0.471447 -0.707792
C 0.280821 2.205697 0.283259
C -1.856955 -0.287373 0.319903
C -2.101078 0.805376 -1.831613
C 2.439209 -0.104583 -0.611194
C -3.226628 -0.717423 0.234408
C -4.036410 -0.365739 -0.901087
C -3.439521 0.413470 -1.941823
C 0.040112 3.500887 -0.237971
C 0.599952 2.061903 1.654864
C 3.277745 -1.256379 -0.339863
C 3.058774 1.040357 -1.213764
C -5.388820 -0.840307 -0.890578
C 0.108119 4.638189 0.597435
C 0.670544 3.197946 2.491065
C 0.423898 4.488872 1.967851
C 4.657434 -1.223843 -0.689804
C 4.420511 1.036655 -1.547848
C -5.846271 -1.601953 0.190020
C 5.236412 -0.098049 -1.293771
C -4.955846 -1.898694 1.272338
C 2.705424 -2.455829 0.290210
C 3.103542 -4.720883 1.086388
H 0.415205 1.323966 -1.674493
H 0.738558 -0.942305 0.203583
H -1.648426 1.391676 -2.640356
H -4.029957 0.691348 -2.821492
H -0.202304 3.623195 -1.302319
H 0.788123 1.061068 2.055458
H 2.472005 1.946452 -1.383793
H -6.052277 -0.602770 -1.730051
H -0.077067 5.635208 0.181466
H 0.920377 3.076743 3.551293
H 0.482346 5.368721 2.618623
H 5.258030 -2.111322 -0.472466
H -1.791451 -1.224978 1.994316
H 4.859104 1.933265 -2.001696
H -6.873553 -1.977071 0.223549
H 6.298949 -0.090397 -1.555252
H -5.296710 -2.495570 2.125327
H 2.732474 -4.497579 2.101193
H 3.959994 -5.409423 1.120639
H 2.277750 -5.143097 0.488938


