%chk=000088126.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088126

0 1
 O   0.2349000      0.3628000      0.5995000    
 O    2.524300     -0.1803000      0.2475000    
 O   0.7488000       1.340600      -1.416600    
 O    3.386500      -2.289100     -8.0300003E-02
 O   -3.098500      -2.518100      -1.625500    
 O   -4.808200      -2.718800      0.5571000    
 N  -0.3419000       3.670100     -0.4670000    
 C  -0.8794000       2.404000      6.5200001E-02
 C   -2.257700       2.179900     -0.6021000    
 C    4.877900     -0.3546000     -6.1099999E-02
 C  -0.9595000       2.550000       1.591200    
 C   -2.939700      0.8659000     -0.2945000    
 C   0.1150000       1.319700     -0.3675000    
 C    4.848200      0.6233000      -1.243200    
 C    5.151500      0.3958000       1.249100    
 C    5.997700      -1.382600     -0.2893000    
 C    3.531000      -1.077900      3.1700000E-02
 C    1.183300     -0.6963000      0.3526000    
 C   -2.701400     -0.2274000      -1.110000    
 C   -3.788200      0.7832000      0.7964000    
 C    1.111300      -1.641100       1.543300    
 C   -3.330200      -1.439700     -0.8259000    
 C   -4.417200     -0.4290000       1.080200    
 C   -4.188300      -1.540500      0.2692000    
 H   -2.938500       3.000600     -0.3328000    
 H   -2.156300       2.250000      -1.695700    
 H   2.9300001E-02   2.742200       2.025900    
 H   -1.345600       1.645900       2.073500    
 H   -1.616800       3.379900       1.876100    
 H  -0.2381000       3.610900      -1.479300    
 H   0.5879000       3.843100     -8.6700000E-02
 H    4.097900       1.409100      -1.098900    
 H    5.818700       1.113900      -1.376500    
 H    4.599400      0.1054000      -2.176600    
 H    6.137600      0.8731000       1.234600    
 H    4.407600       1.180400       1.428200    
 H    5.116900     -0.2854000       2.107100    
 H    6.976700     -0.8954000     -0.3608000    
 H    5.836900      -1.946600      -1.215500    
 H    6.044100      -2.108100      0.5311000    
 H   0.9015000      -1.213400     -0.5731000    
 H   -2.035200     -0.1536000      -1.965200    
 H   -3.974700       1.643100       1.433100    
 H   6.7100003E-02  -1.870900       1.783800    
 H    1.624200      -2.591000       1.382000    
 H    1.551600      -1.174900       2.432300    
 H   -5.084700     -0.5009000       1.934800    
 H   -3.294400      -3.334600      -1.138300    
 H   -4.844900      -3.272500     -0.2394000    


%chk=000088126-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088126

0 1
O 0.735029 0.183912 1.662375
O 3.006317 -0.240415 1.222312
O 0.619701 -0.144889 -0.646697
O 3.500942 -2.172660 0.011243
O -3.400236 -2.869382 -1.503447
O -5.858534 -2.138852 -0.668351
N 0.299517 2.907622 0.188394
C -0.634425 1.761223 0.372723
C -1.591924 1.738247 -0.861273
C 4.815430 -0.089910 -0.394836
C -1.395356 1.959504 1.695529
C -2.733713 0.732764 -0.795927
C 0.248517 0.485888 0.369286
C 4.111234 1.108619 -1.097788
C 5.779060 0.438325 0.707562
C 5.593667 -0.937190 -1.429018
C 3.737331 -0.971509 0.254517
C 1.767167 -0.863906 1.740203
C -2.537118 -0.620168 -1.181104
C -4.020026 1.141436 -0.359481
C 1.931159 -1.235750 3.201183
C -3.599895 -1.539113 -1.119031
C -5.094973 0.223017 -0.296277
C -4.879881 -1.113557 -0.674271
H -1.991694 2.765303 -0.940449
H -0.975510 1.546760 -1.760444
H -0.698390 2.022765 2.548133
H -2.091453 1.125903 1.882683
H -1.970992 2.899375 1.633977
H 0.808911 2.890205 -0.703593
H 0.920131 3.064725 0.990959
H 3.584724 1.740042 -0.361557
H 4.868981 1.723230 -1.617375
H 3.375346 0.756270 -1.842700
H 6.547233 1.082716 0.241829
H 5.233723 1.027968 1.463245
H 6.296021 -0.394475 1.218512
H 6.375511 -0.315982 -1.902486
H 4.922256 -1.320994 -2.216307
H 6.076674 -1.806986 -0.950834
H 1.503232 -1.708147 1.078835
H -1.560768 -0.965763 -1.534193
H -4.188014 2.185597 -0.073421
H 0.976677 -1.615136 3.603618
H 2.695212 -2.025349 3.297083
H 2.244437 -0.357370 3.789314
H -6.086773 0.553169 0.038095
H -4.257498 -3.361827 -1.404330
H -6.738569 -1.805056 -0.372720


