%chk=000126246.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126246

0 1
 O   0.3945000       1.115100     -0.2224000    
 O   -1.033100      -2.410200      0.3158000    
 O  -0.8008000      -1.106100      -1.577000    
 O   0.8401000      0.2530000       1.865100    
 N   -3.583400      0.2905000     -0.8944000    
 C   -3.137000     -0.1136000      0.4537000    
 C   -3.267000       1.727900     -0.9270000    
 C   -1.593200     -0.1401000      0.4879000    
 C   -3.727100      0.9905000       1.333800    
 C   -3.803000       2.216200      0.4192000    
 C   -1.742900       1.876800      -1.063100    
 C  -0.9867000       1.220300      9.8999999E-02
 C   -1.096000      -1.250400     -0.3983000    
 C    1.199000      0.6137000      0.7549000    
 C  -0.5734000      -3.554800     -0.4099000    
 C    2.610200      0.5569000      0.2968000    
 C  -0.5606000      -4.752800      0.5155000    
 C    3.619500      0.6942000       1.227700    
 C    2.868600      0.3679000      -1.045400    
 C    4.945200      0.6405000      0.7974000    
 C    4.194400      0.3142000      -1.475600    
 C    5.232700      0.4505000     -0.5541000    
 H   -3.544000      -1.096100      0.7167000    
 H   -3.764300       2.225800      -1.765400    
 H   -1.301800     -0.3846000       1.515400    
 H   -3.130200       1.184600       2.230700    
 H   -4.738700      0.7200000       1.660100    
 H   -4.849300       2.530900      0.3240000    
 H   -3.236900       3.063300      0.8196000    
 H   -1.409100       1.452500      -2.019000    
 H   -1.472600       2.939400      -1.108800    
 H   -1.067000       1.898900      0.9596000    
 H   -4.596500      0.1764000     -0.9509000    
 H   -1.245200      -3.745900      -1.254100    
 H   0.4385000      -3.366100     -0.7855000    
 H  -0.2132000      -5.647900     -8.0000004E-03
 H   9.3400002E-02  -4.569100       1.374400    
 H   -1.562700      -4.942500      0.9140000    
 H    3.408200      0.8457000       2.282000    
 H    2.078800      0.2452000      -1.780500    
 H    5.753800      0.7471000       1.514700    
 H    4.418700      0.1629000      -2.527500    
 H    6.265000      0.4080000     -0.8889000    


%chk=000126246-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126246

0 1
O 0.507428 1.025548 -0.269979
O -1.378409 -2.671238 0.200453
O -0.584358 -1.376535 -1.563096
O 1.044853 1.349930 1.981663
N -3.530012 0.032932 -0.745037
C -3.024626 -0.238591 0.634259
C -3.227767 1.492099 -0.906950
C -1.461257 -0.310015 0.527208
C -3.497402 0.985611 1.499016
C -3.669378 2.143549 0.454544
C -1.698536 1.620977 -1.150210
C -0.942264 1.075509 0.071204
C -1.080527 -1.448101 -0.419501
C 1.407340 1.154791 0.791481
C -1.105927 -3.896053 -0.610019
C 2.820538 1.037090 0.329867
C -1.500528 -5.092227 0.250670
C 3.856361 1.289200 1.266618
C 3.140541 0.669509 -1.003539
C 5.205120 1.183802 0.870259
C 4.492363 0.561669 -1.393044
C 5.525212 0.820654 -0.460331
H -3.399697 -1.203969 1.008047
H -3.775442 1.901409 -1.772277
H -1.050981 -0.548666 1.525760
H -2.779672 1.238847 2.299657
H -4.459307 0.744302 1.985923
H -4.724371 2.467062 0.395781
H -3.065845 3.033861 0.708678
H -1.425872 1.033364 -2.042198
H -1.421032 2.677657 -1.317740
H -1.038318 1.761668 0.933011
H -4.542068 -0.155428 -0.817983
H -1.692432 -3.831401 -1.544482
H -0.033824 -3.903547 -0.878633
H -1.314683 -6.030606 -0.303335
H -0.911459 -5.117007 1.183429
H -2.571022 -5.052105 0.516044
H 3.582580 1.563161 2.290997
H 2.329402 0.465851 -1.708334
H 6.004679 1.381982 1.592302
H 4.741542 0.274702 -2.420409
H 6.573955 0.737455 -0.767574


