%chk=000104234.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104234

0 1
 O   0.8301000       3.314600      0.7528000    
 O   -2.072300       1.278900       1.064500    
 O   -3.526900       2.982900       1.422900    
 N  -0.6984000       2.507500     -0.7942000    
 C    3.649100      -2.582100      0.9205000    
 C    2.430300      -3.182100      0.2109000    
 C    3.809600      -1.061900      0.8174000    
 C    1.064500      -2.637800      0.6372000    
 C    3.868800     -0.5448000     -0.6216000    
 C  -0.1124000      -3.228400     -0.1407000    
 C    4.102500      0.9681000     -0.7164000    
 C   -1.428400      -2.569600      0.2833000    
 C    3.001400       1.857100     -0.1282000    
 C   -2.619900      -3.171300     -0.4637000    
 C    1.649400       1.707600     -0.8282000    
 C   -3.962800      -2.568100     -4.5600001E-02
 C   0.5701000       2.587100     -0.2090000    
 C   -5.145800      -3.113200     -0.8312000    
 C   -1.800300       3.275800     -0.2286000    
 C   -1.048200       1.660600      -1.932200    
 C   -2.560400       2.519200      0.8301000    
 H    3.604500      -2.851700       1.983100    
 H    4.551500      -3.060600      0.5196000    
 H    2.439600      -4.266200      0.3831000    
 H    2.545800      -3.053900     -0.8721000    
 H    2.985900     -0.5820000       1.356500    
 H    4.729800     -0.7754000       1.341500    
 H   0.9249000      -2.825800       1.708900    
 H    1.052800      -1.549900      0.5055000    
 H    2.955600     -0.8060000      -1.164800    
 H    4.691800      -1.050200      -1.142600    
 H  -0.1610000      -4.309800      3.3900000E-02
 H   4.3400001E-02  -3.078300      -1.215700    
 H    4.238000       1.230500      -1.773200    
 H    5.048500       1.211200     -0.2166000    
 H   -1.573100      -2.697300       1.362900    
 H   -1.381600      -1.491400      8.8200003E-02
 H    3.327400       2.902400     -0.2068000    
 H    2.893800       1.657700      0.9442000    
 H   -2.479700      -3.023100      -1.541700    
 H   -2.647600      -4.254800     -0.2941000    
 H    1.310400      0.6696000     -0.7542000    
 H    1.760900       1.976900      -1.884200    
 H   -4.127900      -2.755100       1.022100    
 H   -3.927000      -1.479600     -0.1751000    
 H   -5.033100      -2.906000      -1.900000    
 H   -6.076000      -2.648500     -0.4896000    
 H   -5.235900      -4.195900     -0.6986000    
 H   -2.488300       3.558900      -1.031500    
 H   -1.403700       4.183300      0.2384000    
 H   -1.848700      0.9761000      -1.636500    
 H  -0.2121000       1.070200      -2.305500    
 H   -1.405400       2.302300      -2.743500    
 H   -2.584400      0.8058000       1.754400    


%chk=000104234-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104234

0 1
O 0.726329 3.213924 0.920895
O -2.369232 0.946447 0.505674
O -4.025077 2.578125 0.532353
N -0.610954 2.550345 -0.857859
C 3.693494 -2.667229 0.742034
C 2.427855 -3.163771 -0.005112
C 3.869259 -1.127865 0.791926
C 1.100028 -2.610058 0.560796
C 4.026117 -0.462381 -0.595673
C -0.153380 -3.228392 -0.099499
C 4.239991 1.073096 -0.532278
C -1.467446 -2.562734 0.368931
C 3.059962 1.884774 0.059016
C -2.737658 -3.185023 -0.253817
C 1.779066 1.802727 -0.796617
C -4.036526 -2.440184 0.134239
C 0.610619 2.574907 -0.172242
C -5.312185 -3.102628 -0.428908
C -1.761535 3.191902 -0.220157
C -0.857797 1.792587 -2.094847
C -2.844262 2.246551 0.295136
H 3.663114 -3.053169 1.782052
H 4.589680 -3.117901 0.267140
H 2.403647 -4.272225 0.043027
H 2.498753 -2.908472 -1.082192
H 3.011423 -0.679571 1.329446
H 4.766971 -0.890449 1.399650
H 1.064620 -2.788119 1.656075
H 1.064881 -1.508964 0.428573
H 3.142245 -0.691225 -1.224589
H 4.892788 -0.922054 -1.114420
H -0.186942 -4.316400 0.117922
H -0.070835 -3.135852 -1.203387
H 4.462872 1.449387 -1.553015
H 5.143906 1.277591 0.077317
H -1.533760 -2.625993 1.475664
H -1.426340 -1.480977 0.122725
H 3.354081 2.946445 0.154499
H 2.831136 1.550698 1.086724
H -2.641559 -3.194746 -1.359869
H -2.820805 -4.246598 0.059263
H 1.471238 0.746936 -0.934421
H 1.989130 2.197049 -1.812727
H -4.107788 -2.383423 1.240615
H -3.977144 -1.394937 -0.240038
H -5.274846 -3.157189 -1.533192
H -6.221048 -2.539505 -0.148286
H -5.421523 -4.134704 -0.046261
H -2.255593 3.911404 -0.898786
H -1.366561 3.755026 0.649633
H -1.258268 0.783064 -1.878192
H 0.066192 1.690252 -2.682934
H -1.593788 2.334673 -2.716241
H -3.097445 0.378330 0.880228


