%chk=000049917.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049917

0 1
 O    6.548100       1.890800     -0.5180000    
 N   0.7110000     -0.5640000     -8.9100003E-02
 C    1.821000     -0.9953000      0.7688000    
 C    1.989600      -2.519900      0.6719000    
 C    2.680600      -2.929400     -0.6244000    
 C    3.101400     -0.2568000      0.4274000    
 C    4.081800      -2.328200     -0.6932000    
 C    4.140700     -0.8740000     -0.2957000    
 C  -0.5730000     -0.9026000      0.5118000    
 C   -1.725900     -0.1216000     -0.1222000    
 C   -3.122200     -0.4588000      0.4141000    
 C    3.241200       1.087300      0.8149000    
 C   -4.245000      0.3028000     -0.2936000    
 C    5.298200     -0.1402000     -0.6009000    
 C   -5.614800     -7.5000003E-02  0.2751000    
 C   -6.742100      0.6615000     -0.4524000    
 C    5.420900       1.192900     -0.2112000    
 C    4.392700       1.806400      0.4967000    
 C   -8.107900      0.3065000      0.1395000    
 C   -9.274200      0.9992000     -0.5687000    
 C   -10.63180      0.6699000      3.2299999E-02
 C    6.609900       3.248500     -8.3200000E-02
 H    1.599200     -0.7542000       1.818100    
 H    2.606300      -2.860000       1.516000    
 H    1.040300      -3.055000      0.7743000    
 H    2.747600      -4.021400     -0.6883000    
 H    2.087700      -2.596700      -1.485200    
 H    4.744600      -2.887200     -2.0400001E-02
 H    4.467400      -2.452200      -1.712400    
 H   0.7511000      0.4496000     -0.2004000    
 H  -0.7783000      -1.971300      0.3910000    
 H  -0.5787000     -0.6812000       1.586300    
 H   -1.550700      0.9536000      1.4300000E-02
 H   -1.719300     -0.3009000      -1.205700    
 H   -3.293200      -1.537000      0.3053000    
 H   -3.153000     -0.2401000       1.488600    
 H   -4.083300       1.381700     -0.1824000    
 H   -4.217200      7.9999998E-02  -1.367000    
 H    2.446000       1.581900       1.368200    
 H    6.112600     -0.6150000      -1.144000    
 H   -5.766100      -1.157400      0.1837000    
 H   -5.646200      0.1670000       1.344400    
 H   -6.724800      0.4014000      -1.517500    
 H   -6.583600       1.744300     -0.3806000    
 H    4.420200       2.837600      0.8319000    
 H   -8.254200     -0.7797000      8.8399999E-02
 H   -8.122200      0.5779000       1.202400    
 H   -9.126700       2.085200     -0.5328000    
 H   -9.276600      0.7141000      -1.627500    
 H   -10.83070     -0.4052000     -1.9400001E-02
 H   -10.67900      0.9778000       1.081600    
 H   -11.42550       1.190600     -0.5122000    
 H    5.832300       3.858200     -0.5559000    
 H    6.588400       3.322500       1.009400    
 H    7.574300       3.649600     -0.4118000    


%chk=000049917-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049917

0 1
O 6.548963 1.970789 -0.606167
N 0.734895 -0.591033 0.143549
C 1.912307 -1.128349 0.891349
C 2.091525 -2.638284 0.589704
C 2.606921 -2.835553 -0.850230
C 3.160553 -0.328364 0.514609
C 4.015509 -2.224163 -1.003814
C 4.127747 -0.822847 -0.409155
C -0.577496 -0.779477 0.796030
C -1.720536 -0.234166 -0.082364
C -3.108129 -0.369546 0.583399
C 3.349242 0.956618 1.075950
C -4.263136 0.141528 -0.306971
C 5.235045 -0.013635 -0.747304
C -5.650414 0.017094 0.362319
C -6.809902 0.511210 -0.532095
C 5.403843 1.271408 -0.183473
C 4.454661 1.769086 0.744254
C -8.195942 0.392929 0.141045
C -9.357296 0.877671 -0.756808
C -10.737451 0.759627 -0.074489
C 6.770763 3.302340 -0.041490
H 1.746270 -1.007172 1.991830
H 2.806359 -3.077004 1.316075
H 1.123985 -3.156501 0.727794
H 2.633885 -3.909700 -1.113770
H 1.896283 -2.335676 -1.535177
H 4.751421 -2.879386 -0.490882
H 4.315310 -2.200833 -2.069127
H 0.884970 0.386371 -0.140989
H -0.736199 -1.863616 0.961021
H -0.625185 -0.297914 1.808221
H -1.528407 0.835950 -0.312331
H -1.707766 -0.770328 -1.051174
H -3.289839 -1.434604 0.839398
H -3.113186 0.186119 1.544590
H -4.078655 1.203442 -0.573682
H -4.265019 -0.422529 -1.262963
H 2.614630 1.330722 1.801463
H 5.990649 -0.370622 -1.456252
H -5.829260 -1.043075 0.639703
H -5.651028 0.590509 1.313113
H -6.812819 -0.066808 -1.480056
H -6.629252 1.569651 -0.814984
H 4.565849 2.755108 1.204881
H -8.375249 -0.664156 0.429861
H -8.196660 0.976561 1.085646
H -9.176211 1.932700 -1.047986
H -9.357673 0.291728 -1.698786
H -10.955040 -0.290000 0.200166
H -10.773481 1.362049 0.852977
H -11.549904 1.110708 -0.737240
H 5.943329 3.993676 -0.296065
H 6.890726 3.260060 1.059005
H 7.704395 3.658188 -0.501826


