%chk=000100759.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100759

0 1
 O    2.372700       2.569200     -0.4011000    
 O    6.313100     -0.7238000       1.544700    
 O    6.213100     -0.7114000     -0.7236000    
 N    2.045000      0.2847000     -0.5078000    
 N    1.215900     -0.7900000     -0.4416000    
 N  -0.6864000       4.252000      5.8100000E-02
 C  -0.6801000      0.7628000     -7.8500003E-02
 C  -4.0199999E-02 -0.5735000     -0.2350000    
 C    3.443200     -4.3699998E-02 -0.7335000    
 C   0.1560000       1.812500     -0.1458000    
 C   -2.136100      0.9254000      9.7000003E-02
 C    1.619100       1.594700     -0.3597000    
 C  -0.9187000      -1.756500     -0.1523000    
 C    4.197300     -0.2643000      0.5713000    
 C   -2.960800       1.036900      -1.019900    
 C   -2.679800      0.9668000       1.378700    
 C   -1.511000      -2.256000      -1.306800    
 C   -1.145300      -2.361000       1.079200    
 C   -4.337300       1.190800     -0.8543000    
 C   -4.056300       1.120700       1.544300    
 C   -2.341200      -3.374300      -1.228800    
 C   -1.975400      -3.479300       1.157100    
 C    5.660300     -0.5882000      0.3604000    
 C   -4.885000       1.232700      0.4278000    
 C  -0.3088000       3.158900     -3.3199999E-02
 C   -2.573300      -3.985900      3.1000001E-03
 H    3.499000     -0.9351000      -1.370800    
 H    3.910900      0.7747000      -1.294200    
 H    3.743300      -1.093000       1.126900    
 H    4.136000      0.6384000       1.190200    
 H   -2.548400       1.006000      -2.025500    
 H   -2.046700      0.8800000       2.258200    
 H   -1.335500      -1.787400      -2.271300    
 H  -0.6838000      -1.973900       1.983700    
 H   -4.982500       1.277800      -1.723500    
 H   -4.483000       1.152800       2.542500    
 H   -2.806800      -3.768700      -2.127200    
 H   -2.156300      -3.955500       2.116200    
 H   -5.956700       1.352200      0.5568000    
 H   -3.219700      -4.856500      6.3800000E-02
 H    7.263400     -0.9307000       1.416400    


%chk=000100759-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100759

0 1
O 2.544617 2.508732 0.133416
O 6.427623 -0.827964 1.165146
O 6.108775 -0.706695 -1.133137
N 1.967822 0.322010 -0.477656
N 1.112882 -0.739888 -0.552895
N -0.492620 4.279257 0.840867
C -0.715013 0.750359 0.142440
C -0.188081 -0.557534 -0.231224
C 3.373758 0.037512 -0.849699
C 0.203348 1.810270 0.256058
C -2.179029 0.982824 0.318552
C 1.642813 1.630634 -0.000893
C -0.998665 -1.812209 -0.268217
C 4.229599 -0.231496 0.404613
C -3.087797 0.587064 -0.700705
C -2.682061 1.632055 1.477005
C -0.773669 -2.761370 -1.300379
C -1.941447 -2.114764 0.750364
C -4.467257 0.843543 -0.564872
C -4.065594 1.870758 1.618402
C -1.488274 -3.977415 -1.324886
C -2.650504 -3.334266 0.727441
C 5.648063 -0.601324 0.025003
C -4.962212 1.481180 0.597176
C -0.195067 3.151406 0.577673
C -2.432115 -4.268015 -0.311891
H 3.362142 -0.836033 -1.517486
H 3.769075 0.911391 -1.391304
H 3.801074 -1.055279 1.005646
H 4.257367 0.663477 1.052279
H -2.711652 0.089995 -1.600884
H -1.995380 1.938791 2.273260
H -0.033138 -2.537732 -2.074988
H -2.114521 -1.406457 1.566461
H -5.154828 0.545217 -1.363369
H -4.439527 2.366730 2.520205
H -1.309289 -4.696595 -2.131611
H -3.370276 -3.556153 1.522757
H -6.035143 1.674640 0.703923
H -2.987913 -5.211945 -0.330456
H 7.355314 -1.063410 0.889867


