%chk=000039812.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039812

0 1
 O    1.300000      1.2600000E-02  0.9536000    
 O    1.901000      0.6393000      -1.288000    
 O   -6.687000     -8.1400000E-02  0.7404000    
 O  -0.6146000      -1.977700     -2.7000001E-02
 O  -0.2946000      -1.359900      -2.226900    
 N   -4.020100     -0.5510000     -0.1361000    
 C    2.089100     -0.3291000     -0.2194000    
 C   -4.710700      -1.488200      0.7606000    
 C   -4.533700      0.8109000      6.6600002E-02
 C   -2.575000     -0.5977000      7.7699997E-02
 C    1.594400      -1.687000     -0.7316000    
 C   -6.216800      -1.412900      0.5273000    
 C   -6.044300      0.8324000     -0.1493000    
 C    3.567800     -0.4276000      0.1493000    
 C   -2.031000      -1.983000     -0.2328000    
 C   0.7087000       1.176000      0.5680000    
 C    1.052300       1.534200     -0.7133000    
 C   0.1370000      -1.645300      -1.118300    
 C    4.541000     -0.1573000     -0.8099000    
 C    3.937500     -0.7867000       1.443400    
 C  -0.1456000       1.942900       1.332600    
 C   0.5615000       2.680100      -1.303800    
 C    5.891600     -0.2470000     -0.4732000    
 C    5.288200     -0.8762000       1.780000    
 C  -0.6567000       3.109700      0.7596000    
 C  -0.3051000       3.476200     -0.5514000    
 C    6.265200     -0.6064000      0.8216000    
 H   -4.489100      -1.250800       1.809100    
 H   -4.425700      -2.526800      0.5728000    
 H   -4.063900       1.504300     -0.6402000    
 H   -4.305400       1.155700       1.083700    
 H   -2.305500     -0.3135000       1.103300    
 H   -2.083200      0.1281000     -0.5813000    
 H    1.732800      -2.477800      1.7100001E-02
 H    2.149500      -2.002600      -1.624300    
 H   -6.737300      -2.065800       1.235400    
 H   -6.487300      -1.739000     -0.4846000    
 H   -6.308800      0.5830000      -1.184100    
 H   -6.436500       1.832500      6.0800001E-02
 H   -2.405200      -2.739900      0.4611000    
 H   -2.289300      -2.315700      -1.245700    
 H    4.276000      0.1134000      -1.827900    
 H    3.195900      -1.012800       2.204200    
 H  -0.4158000       1.654900       2.342100    
 H   0.8344000       2.957900      -2.315300    
 H    6.652600     -3.9700001E-02  -1.219900    
 H    5.579500      -1.158800       2.787400    
 H   -1.333800       3.739700       1.329900    
 H  -0.7132000       4.386600     -0.9819000    
 H    7.316900     -0.6775000       1.083400    


%chk=000039812-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039812

0 1
O 1.303789 -0.046217 0.979328
O 1.905189 0.755759 -1.204435
O -6.847358 0.002988 0.622321
O -0.649103 -2.180912 -0.258437
O -0.291641 -1.202976 -2.348418
N -4.138189 -0.721088 -0.129141
C 2.130272 -0.368267 -0.234098
C -4.720503 -1.154649 1.166985
C -4.736284 0.569910 -0.559205
C -2.657867 -0.717193 -0.130945
C 1.620334 -1.689376 -0.858926
C -6.248347 -1.274686 1.041959
C -6.263030 0.424172 -0.663437
C 3.605124 -0.439352 0.144297
C -2.124829 -2.118113 -0.487503
C 0.754644 1.238281 0.753552
C 1.103957 1.706163 -0.530852
C 0.154149 -1.644141 -1.266060
C 4.595777 -0.093867 -0.806237
C 3.985647 -0.907553 1.424864
C -0.048518 1.982605 1.620696
C 0.666348 2.941928 -1.012335
C 5.962936 -0.213144 -0.473017
C 5.354087 -1.025212 1.753479
C -0.500548 3.247057 1.147482
C -0.151012 3.715579 -0.140646
C 6.345723 -0.681856 0.805301
H -4.475373 -0.427504 1.982135
H -4.299816 -2.136892 1.453693
H -4.324854 0.844283 -1.548301
H -4.495755 1.394574 0.157270
H -2.230130 -0.399374 0.849506
H -2.300909 -0.000634 -0.891454
H 1.784386 -2.494189 -0.124131
H 2.230268 -1.887099 -1.756691
H -6.710641 -1.511813 2.014511
H -6.498863 -2.067357 0.304223
H -6.510944 -0.322032 -1.448824
H -6.740646 1.388770 -0.902056
H -2.527999 -2.895938 0.179368
H -2.346873 -2.359136 -1.540670
H 4.292039 0.287170 -1.786612
H 3.212725 -1.153160 2.160268
H -0.309342 1.611246 2.615247
H 0.938250 3.291381 -2.011522
H 6.727678 0.062423 -1.207546
H 5.646017 -1.380264 2.747984
H -1.127264 3.865613 1.798125
H -0.511977 4.692447 -0.478436
H 7.406973 -0.773053 1.062140


