%chk=000041882.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041882

0 1
 O    3.648400     -2.2200000E-02  0.8322000    
 O   -3.158400     -0.6208000     -0.9926000    
 O    3.530300       5.819700     -0.9377000    
 O   -5.624400       4.467900       1.296300    
 O    5.371700       4.658000     -0.2917000    
 O   -6.586200       3.090500     -0.2317000    
 N    5.326000      -2.240100      0.4006000    
 N   -4.455800      -3.056200     -0.4200000    
 C    1.152200      -2.572900      5.0700001E-02
 C  -0.2845000      -2.692800     -7.1000002E-02
 C    3.109100      -1.230200      0.5036000    
 C   -2.429500      -1.711200     -0.5933000    
 C    1.724000      -1.345600      0.3861000    
 C   -1.044400      -1.595300     -0.4758000    
 C    3.908500       2.287700      0.1731000    
 C   -4.382300       1.324900     -0.2626000    
 C    2.936100       1.140000      0.4137000    
 C   -3.081400      0.5371000     -0.1736000    
 C    1.965500      -3.684800     -0.1674000    
 C  -0.9097000      -3.906100      0.2165000    
 C    3.922600      -2.342200      0.2856000    
 C   -3.054700      -2.924500     -0.3058000    
 C    3.350700      -3.569400     -5.0099999E-02
 C   -2.294800      -4.021800      9.9200003E-02
 C    3.199400       3.558800     -0.2974000    
 C   -4.362900       2.576300      0.6169000    
 C    4.166700       4.703100     -0.4965000    
 C   -5.642100       3.372200      0.4929000    
 H    1.087600     -0.4990000      0.6254000    
 H  -0.5827000     -0.6497000     -0.7482000    
 H    4.661000       1.979500     -0.5643000    
 H    4.470000       2.484200       1.095600    
 H   -5.220900      0.6761000      2.1700000E-02
 H   -4.568400       1.597800      -1.309300    
 H    2.397100      0.9649000     -0.5268000    
 H    2.221000       1.419700       1.196200    
 H   -2.897700      0.2613000      0.8732000    
 H   -2.246400       1.157800     -0.5187000    
 H    1.568000      -4.652600     -0.4606000    
 H  -0.3634000      -4.778400      0.5646000    
 H    3.974200      -4.441800     -0.2293000    
 H   -2.770900      -4.970800      0.3328000    
 H    2.457600       3.866900      0.4475000    
 H    2.693000       3.368800      -1.250200    
 H   -3.530000       3.223900      0.3219000    
 H   -4.238900       2.288400       1.666600    
 H    5.747000      -1.352700      0.6421000    
 H    5.909100      -3.050700      0.2408000    
 H   -4.902000      -3.938800     -0.2091000    
 H   -5.012800      -2.263200     -0.7095000    
 H    4.152100       6.567200      -1.067900    
 H   -6.451300       4.990300       1.219900    


%chk=000041882-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041882

0 1
O 3.774617 0.052134 -0.216016
O -3.679347 -0.945544 0.271170
O 3.749658 5.947469 1.540570
O -5.243193 4.767768 -1.382296
O 5.579629 4.822837 0.656862
O -6.698582 3.174595 -0.523136
N 5.168560 -1.999776 -1.208234
N -4.485653 -3.307638 1.221373
C 1.062971 -2.604583 -0.174274
C -0.366230 -2.798012 0.190667
C 3.050508 -1.158752 -0.355093
C -2.662498 -1.926089 0.391072
C 1.701293 -1.339000 -0.008933
C -1.313564 -1.740410 0.046640
C 4.068798 2.365257 0.384344
C -4.580063 1.212440 -0.291987
C 3.068672 1.207014 0.345996
C -3.306281 0.363629 -0.272113
C 1.843074 -3.668650 -0.697541
C -0.840275 -4.038649 0.691414
C 3.834825 -2.232823 -0.882812
C -3.137917 -3.177500 0.896316
C 3.198702 -3.489684 -1.043536
C -2.195048 -4.226965 1.035893
C 3.422119 3.636622 0.965214
C -4.300943 2.622519 -0.844896
C 4.383223 4.808837 1.015696
C -5.543671 3.491361 -0.878393
H 1.134957 -0.514678 0.436114
H -0.983881 -0.788147 -0.381098
H 4.442698 2.562351 -0.636085
H 4.944833 2.074986 0.991110
H -4.990985 1.280872 0.730967
H -5.346926 0.709583 -0.907443
H 2.192763 1.455364 -0.291664
H 2.700870 0.959616 1.364819
H -2.525989 0.826372 0.370041
H -2.889732 0.238056 -1.294440
H 1.375626 -4.644002 -0.870516
H -0.133913 -4.860959 0.848047
H 3.771949 -4.328849 -1.456165
H -2.528332 -5.194471 1.430794
H 3.046009 3.466042 1.993359
H 2.540368 3.950632 0.372375
H -3.892563 2.580998 -1.874055
H -3.537303 3.151482 -0.241067
H 5.556750 -1.072740 -1.059300
H 5.756590 -2.743479 -1.569079
H -4.858229 -4.186077 1.565780
H -5.102970 -2.511603 1.089004
H 4.399535 6.701546 1.565876
H -6.073108 5.317899 -1.396742


