%chk=000103830.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103830

0 1
 O    2.067300       2.562300      -1.239700    
 O   -1.045200       4.684100      0.3242000    
 O    1.218200       4.777900      0.1379000    
 C    1.971700     -0.2734000      -1.390300    
 C   -2.111800     -9.4599999E-02   1.471100    
 C   0.9689000      0.5314000     -0.6304000    
 C   -1.009100      0.6090000      0.7548000    
 C  -6.3699998E-02 -0.1255000      3.8899999E-02
 C    1.056200       1.922600     -0.5838000    
 C    2.791900      -1.206800     -0.4922000    
 C  -0.9217000       2.000300      0.8015000    
 C   -3.050200     -0.8553000      0.5258000    
 C   0.1109000       2.657100      0.1320000    
 C    1.372100      -1.003600      -2.616700    
 C   -1.621000     -0.9707000       2.650600    
 C    3.845400     -0.6781000      0.2150000    
 C    2.440600      -2.534200     -0.4313000    
 C   -4.019700     -0.1481000     -0.1439000    
 C   -2.882700      -2.212200      0.3885000    
 C   0.1817000       4.110700      0.1945000    
 C    4.591900      -1.527300       1.031800    
 C    3.187000      -3.383600      0.3854000    
 C   -4.873500     -0.8400000      -1.003100    
 C   -3.736200      -2.904100     -0.4708000    
 C    4.262800      -2.880000       1.116900    
 C   -4.731700      -2.217800      -1.166600    
 H    2.716200      0.3977000      -1.841500    
 H   -2.747200      0.6620000       1.957200    
 H  -0.1338000      -1.208600      3.7000000E-03
 H   -1.657400       2.559600       1.374600    
 H   0.5422000      -1.668900      -2.355600    
 H    2.133200      -1.586900      -3.147200    
 H   0.9676000     -0.2689000      -3.323400    
 H  -0.8892000      -1.726500       2.346000    
 H   -2.456400      -1.473400       3.150800    
 H   -1.120900     -0.3406000       3.396000    
 H    4.106900      0.3737000      0.1542000    
 H    1.602200      -2.959800     -0.9698000    
 H   -4.135200      0.9243000     -2.2000000E-02
 H   -2.111000      -2.777900      0.8966000    
 H    1.969800       3.525000      -1.171500    
 H    5.429200      -1.135200       1.601900    
 H    2.928400      -4.436200      0.4555000    
 H   -5.648100     -0.3056000      -1.545300    
 H   -3.623500      -3.976400     -0.6019000    
 H    4.843200      -3.541200       1.753800    
 H   -5.395500      -2.756400      -1.836600    
 H  -0.9884000       5.662700      0.3652000    


%chk=000103830-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103830

0 1
O 2.031701 2.830725 -1.375780
O -1.013791 5.068327 0.556540
O 0.912051 5.067277 -0.724844
C 2.135110 0.005573 -1.341465
C -2.088256 0.097740 1.605467
C 1.043617 0.779663 -0.589326
C -1.026302 0.851407 0.790575
C 0.016936 0.140189 0.128024
C 1.026707 2.204119 -0.659723
C 2.513992 -1.298510 -0.627988
C -1.027956 2.251409 0.717750
C -2.759397 -1.008163 0.771571
C -0.011968 2.944975 -0.000115
C 1.708993 -0.173518 -2.823708
C -1.477998 -0.401209 2.940678
C 3.247760 -1.227672 0.587111
C 2.159475 -2.578767 -1.120783
C -3.578994 -0.634799 -0.327641
C -2.592069 -2.388677 1.043380
C 0.016883 4.402270 -0.095193
C 3.615700 -2.395592 1.288012
C 2.525757 -3.754001 -0.422287
C -4.213491 -1.607109 -1.128838
C -3.223608 -3.368386 0.240622
C 3.253770 -3.668584 0.784967
C -4.036731 -2.983273 -0.847663
H 3.029866 0.658280 -1.350126
H -2.876957 0.834204 1.862896
H 0.024890 -0.955261 0.177074
H -1.807543 2.838419 1.214425
H 0.763130 -0.738611 -2.911151
H 2.490972 -0.704235 -3.396681
H 1.556456 0.816221 -3.286679
H -0.629979 -1.088903 2.768169
H -2.233166 -0.925449 3.554304
H -1.093465 0.455163 3.522001
H 3.531389 -0.243873 0.982136
H 1.599744 -2.668252 -2.057721
H -3.714341 0.430011 -0.556697
H -1.971287 -2.711029 1.885891
H 1.882217 3.839881 -1.317049
H 4.187310 -2.315968 2.219904
H 2.243052 -4.734176 -0.823490
H -4.844232 -1.295511 -1.969353
H -3.081062 -4.431046 0.468659
H 3.540377 -4.578437 1.324445
H -4.527977 -3.741886 -1.467374
H -0.894884 6.047646 0.427872


