%chk=000044506.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044506

0 1
 O    1.022200       1.985600     -0.6570000    
 O    3.307200       3.569600     -0.7315000    
 O   -3.419800      -1.284900     -0.1921000    
 O    1.046200     -0.5698000      -1.717700    
 O   -1.187100      -2.174900      -1.465900    
 O   -5.559700      -1.642400      0.5302000    
 N    3.670400      0.2816000      0.9320000    
 C    4.097000      -2.102400       1.510300    
 C    4.312400     -0.9554000      0.5080000    
 C    3.837700       1.325100     -7.0400000E-02
 C    3.122300       2.620000      0.3221000    
 C    1.624100       2.436700      0.5543000    
 C    4.774300      -3.402600       1.069200    
 C    2.597700      -2.343700       1.705000    
 C  -7.2899997E-02   1.181800     -0.5417000    
 C   -2.351500      0.8661000      0.2552000    
 C   -2.312000     -0.4189000     -0.2882000    
 C   -1.208500       1.665000      0.1183000    
 C  -6.2300000E-02 -0.1060000      -1.074700    
 C   -1.186800     -0.9148000     -0.9493000    
 C   -3.577900       1.305300      0.9347000    
 C   -4.615800      0.4606000       1.010800    
 C   -3.651900       2.681100       1.530200    
 C   -4.589600     -0.8978000      0.4426000    
 C    1.123900     -0.3389000      -3.122700    
 C  -0.7396000      -3.226000     -0.6118000    
 H    4.526900      -1.814100       2.478500    
 H    3.928300      -1.263000     -0.4735000    
 H    5.391000     -0.7882000      0.3968000    
 H    4.903600       1.547700     -0.2089000    
 H    3.472000      0.9899000      -1.049700    
 H    3.583700       3.034400       1.226400    
 H    2.676500      0.1124000       1.067400    
 H    1.176100       3.407500      0.7986000    
 H    1.425700       1.756100       1.390600    
 H    5.850800      -3.250600      0.9394000    
 H    4.634300      -4.190300       1.817000    
 H    4.365300      -3.758800      0.1177000    
 H    2.114500      -1.518000       2.236400    
 H    2.426300      -3.243000       2.307200    
 H    2.090500      -2.483100      0.7458000    
 H   -1.192300       2.676800      0.5160000    
 H    2.880900       4.399100     -0.4561000    
 H   -5.537500      0.7519000       1.505800    
 H   -3.516300       3.446800      0.7589000    
 H   -2.885000       2.813300       2.301000    
 H   -4.621700       2.869300       2.004500    
 H    2.061800     -0.7662000      -3.487700    
 H   0.2921000     -0.8268000      -3.640400    
 H    1.122400      0.7344000      -3.337000    
 H   -1.112700      -3.102700      0.4103000    
 H   0.3528000      -3.259700     -0.6124000    
 H   -1.116200      -4.172600      -1.009000    


%chk=000044506-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044506

0 1
O 1.143901 1.007545 -0.765447
O 3.164825 3.045643 -1.612926
O -4.132233 -0.894083 -0.488057
O 0.249493 -0.947338 -2.494104
O -2.361194 -1.743048 -2.522963
O -6.245847 -0.983409 0.430632
N 3.773500 0.205875 0.708401
C 4.661149 -1.567631 2.255392
C 4.917415 -0.686316 1.008355
C 3.983018 1.134116 -0.424593
C 3.090216 2.387347 -0.297113
C 1.649282 2.065200 0.121220
C 5.934260 -2.376888 2.596617
C 3.452350 -2.514384 2.055858
C -0.192559 0.612349 -0.626504
C -2.397866 0.588021 0.447324
C -2.826698 -0.390206 -0.492846
C -1.066762 1.086455 0.362610
C -0.625399 -0.379361 -1.571533
C -1.954201 -0.879817 -1.509434
C -3.355887 1.045180 1.450505
C -4.638811 0.527054 1.454091
C -2.944853 2.079163 2.475854
C -5.114409 -0.463771 0.500864
C 0.830112 -0.046504 -3.521702
C -2.969644 -3.039816 -2.140008
H 4.434159 -0.883307 3.098103
H 5.181905 -1.356472 0.150097
H 5.801995 -0.046369 1.198088
H 5.036819 1.465104 -0.428353
H 3.778687 0.678154 -1.417895
H 3.496630 3.049874 0.498970
H 2.914346 -0.340323 0.552557
H 1.004317 2.965667 0.039601
H 1.650292 1.705889 1.169999
H 6.803822 -1.712750 2.760254
H 5.787935 -2.976796 3.513466
H 6.188818 -3.074339 1.775106
H 2.503156 -1.961527 1.925848
H 3.324844 -3.175929 2.932642
H 3.601395 -3.158102 1.166926
H -0.730776 1.828577 1.089815
H 2.768302 3.951523 -1.555120
H -5.376553 0.848612 2.194214
H -2.630319 3.021372 1.988432
H -2.090500 1.723055 3.082035
H -3.776227 2.310984 3.160673
H 1.491773 -0.692412 -4.117559
H 0.022772 0.355864 -4.161079
H 1.404723 0.770303 -3.053361
H -3.935774 -2.887445 -1.633532
H -2.275744 -3.608638 -1.493099
H -3.110156 -3.569442 -3.093821


