%chk=000177231.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177231

0 1
 O   0.4358000       4.293300       1.353400    
 O    3.712300       2.355800     -0.5396000    
 O   0.6978000      -2.646400      0.7277000    
 O    5.326600      -1.645300      -2.328700    
 O    5.122500      -3.222300     -0.7093000    
 O   0.9198000     -0.6353000     -0.3590000    
 N  -0.8048000       3.613000       1.287900    
 N    3.490300      0.6426000       1.015100    
 N    2.738900      -2.023400      2.5200000E-02
 N   -5.050200      -1.286500      -2.508000    
 N   -6.223100     -0.5469000     -0.6271000    
 C    1.357800       3.614300      0.4919000    
 C   0.4914000       2.940800     -0.5469000    
 C    2.187200       2.638600       1.316300    
 C  -0.7719000       2.851900      0.2404000    
 C    3.210500       1.891700      0.4807000    
 C   -1.895500       1.984400     -0.1719000    
 C    4.428500     -0.2799000      0.4174000    
 C    3.758400      -1.207700     -0.5879000    
 C   -3.057700       1.935300      0.5980000    
 C   -1.793700       1.215000      -1.330900    
 C   -4.118200       1.117200      0.2087000    
 C   -2.854100      0.3967000      -1.720200    
 C   -4.016400      0.3478000     -0.9504000    
 C    4.780200      -2.150300      -1.191400    
 C   -1.335800      -3.589200       1.594900    
 C  -0.7080000      -2.410100      0.8654000    
 C    1.406400      -1.668700      8.8000000E-02
 C   -2.842000      -3.410800       1.762900    
 C   -5.121700     -0.5056000      -1.355800    
 C   -3.471600      -4.610000       2.453400    
 H    2.009700       4.359700      2.3100000E-02
 H   0.3156000       3.601100      -1.402800    
 H   0.8771000       1.981700     -0.8902000    
 H    1.529800       1.930600       1.836400    
 H    2.727000       3.182000       2.101400    
 H    4.878000     -0.8519000       1.237600    
 H    5.231100      0.2901000     -6.4800002E-02
 H    3.286800     -0.6316000      -1.393300    
 H    3.022500      0.3472000       1.866800    
 H   -3.161400       2.524100       1.505400    
 H  -0.9103000       1.233400      -1.961200    
 H    3.011500      -2.903200      0.4545000    
 H   -5.008600       1.101900      0.8313000    
 H   -2.723500     -0.1792000      -2.629700    
 H  -0.8552000      -3.710100       2.573700    
 H   -1.122100      -4.511800       1.040600    
 H  -0.8656000      -1.486300       1.434600    
 H   -1.154100      -2.301500     -0.1301000    
 H   -3.046700      -2.507300       2.349100    
 H   -3.313100      -3.273900      0.7824000    
 H   -3.313900      -5.524600       1.872900    
 H   -4.550000      -4.460100       2.564600    
 H   -3.044300      -4.757300       3.450500    
 H    6.003800      -2.246000      -2.706600    
 H   -5.832900      -1.874600      -2.775200    
 H   -4.245800      -1.315000      -3.121900    
 H   -6.879700      -1.197700      -1.072300    


%chk=000177231-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177231

0 1
O 0.452572 4.353401 1.120029
O 4.104527 2.448374 -0.345775
O 0.802319 -2.631353 0.509883
O 5.998505 -1.409442 -1.811804
O 5.148205 -3.331814 -0.814814
O 1.171088 -0.637809 -0.691162
N -0.845946 3.699486 1.091647
N 3.678804 0.711977 1.141704
N 2.937106 -1.969540 0.105327
N -5.591769 -1.192492 -2.081948
N -6.333382 -0.795336 0.192178
C 1.428601 3.506036 0.303523
C 0.514077 2.597064 -0.540813
C 2.321510 2.764941 1.319724
C -0.817436 2.718523 0.195578
C 3.435231 1.979097 0.623580
C -1.996620 1.877085 -0.058430
C 4.668357 -0.184896 0.553373
C 4.006443 -1.165294 -0.485058
C -3.200244 2.036073 0.692771
C -1.949213 0.869577 -1.060316
C -4.312019 1.217355 0.442867
C -3.074750 0.060572 -1.317397
C -4.270660 0.222483 -0.572391
C 5.070272 -2.103786 -1.045511
C -1.368151 -3.500297 1.205253
C -0.673720 -2.421675 0.376105
C 1.605277 -1.658363 -0.087028
C -2.909253 -3.371704 1.114433
C -5.482033 -0.629251 -0.803561
C -3.637015 -4.433358 1.965316
H 2.025973 4.209107 -0.295601
H 0.406858 2.969288 -1.577287
H 0.875166 1.555855 -0.594788
H 1.695967 2.112955 1.958416
H 2.786594 3.522940 1.977670
H 5.160118 -0.770205 1.351600
H 5.419224 0.428395 0.028361
H 3.585457 -0.546627 -1.297568
H 3.066111 0.348192 1.872588
H -3.238499 2.807084 1.468590
H -1.024064 0.696422 -1.618158
H 3.174639 -2.895000 0.473606
H -5.234108 1.313949 1.023562
H -2.993479 -0.732958 -2.070040
H -1.047266 -3.413012 2.261292
H -1.051136 -4.500565 0.851673
H -0.921036 -1.403579 0.726891
H -0.936087 -2.490206 -0.696420
H -3.221321 -2.360080 1.440833
H -3.226979 -3.465086 0.055747
H -3.370214 -5.457652 1.642345
H -4.733317 -4.323429 1.883135
H -3.368703 -4.336645 3.034022
H 6.703055 -2.029744 -2.143600
H -6.373040 -1.806703 -2.302891
H -5.014072 -0.864133 -2.852858
H -7.161123 -1.374499 -0.061404


