%chk=000018580.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018580

0 1
 O   -2.126000       1.183700       2.462400    
 N    3.342200       1.406000      -1.309500    
 C    1.821700       1.857300      0.6786000    
 C    2.163300      0.9301000     -0.5647000    
 C   0.4872000       1.369200       1.333700    
 C    1.695900       3.342200      0.2756000    
 C    2.966100       1.750500       1.718100    
 C    2.305000     -0.5567000     -0.2507000    
 C  -0.7838000       1.496100      0.4809000    
 C    3.204700       2.827000      -1.608600    
 C    3.507100      0.6304000      -2.533800    
 C    1.180400      -1.352100     -0.2862000    
 C    3.553200      -1.052500      5.7399999E-02
 C   -2.026400       1.054800       1.244300    
 C    1.310400      -2.710900      1.1000000E-03
 C    3.683000      -2.411400      0.3445000    
 C    2.561600      -3.240400      0.3163000    
 C   -3.159700      0.4536000      0.4811000    
 C    2.700500      -4.693500      0.6223000    
 C   -3.362800      0.8519000     -0.8202000    
 C   -3.957000     -0.4759000       1.108600    
 C   -4.421600      0.2898000      -1.533300    
 C   -5.015900      -1.038200      0.3956000    
 C   -5.248200     -0.6553000     -0.9255000    
 C   -6.380900      -1.255700      -1.687900    
 H    1.315400       1.022000      -1.260100    
 H   0.5843000      0.3415000       1.702200    
 H   0.3341000       1.960700       2.248500    
 H    2.579300       3.968800      0.4027000    
 H    1.091300       3.533400     -0.6135000    
 H    1.063100       3.808700       1.051100    
 H    3.029500      0.7496000       2.156200    
 H    2.790600       2.443600       2.549700    
 H    3.941400       2.001900       1.288800    
 H  -0.9457000       2.542600      0.2000000    
 H  -0.6928000      0.9161000     -0.4366000    
 H    3.707600       3.463800     -0.8840000    
 H    2.252200       3.136600      -2.043600    
 H    3.877200       3.036400      -2.458800    
 H    4.378200      0.9949000      -3.093000    
 H    2.636700      0.7184000      -3.196100    
 H    3.710400     -0.4331000      -2.387000    
 H   0.2033000     -0.9760000     -0.5584000    
 H    4.440600     -0.4297000      0.1114000    
 H   0.4303000      -3.347800     -2.9100001E-02
 H    4.661900      -2.811200      0.5955000    
 H    2.562400      -4.866400       1.694200    
 H    1.960700      -5.285400      7.2800003E-02
 H    3.688500      -5.066100      0.3312000    
 H   -2.747200       1.599400      -1.309700    
 H   -3.784200     -0.7864000       2.134500    
 H   -4.596500      0.6007000      -2.560000    
 H   -5.653400      -1.772900      0.8803000    
 H   -7.285100     -0.6539000      -1.553200    
 H   -6.151900      -1.310800      -2.757700    
 H   -6.586000      -2.277700      -1.351500    


%chk=000018580-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018580

0 1
O -1.718864 0.118892 2.466548
N 3.641626 1.528934 -1.261861
C 1.763519 1.905526 0.535244
C 2.318310 1.069860 -0.712713
C 0.586160 1.133536 1.228845
C 1.202265 3.299591 0.103974
C 2.857006 2.109139 1.620907
C 2.442204 -0.429143 -0.391141
C -0.711896 0.981654 0.414325
C 3.763968 2.966998 -1.586088
C 4.037399 0.726296 -2.448252
C 1.532654 -1.370402 -0.929221
C 3.489319 -0.919693 0.432691
C -1.857344 0.373498 1.232901
C 1.633074 -2.747028 -0.624262
C 3.591074 -2.292718 0.735985
C 2.655870 -3.232947 0.226887
C -3.163269 0.089488 0.542489
C 2.750537 -4.705605 0.587005
C -3.392464 0.385104 -0.827094
C -4.217639 -0.499034 1.294255
C -4.638683 0.099566 -1.424511
C -5.456185 -0.783317 0.694259
C -5.691015 -0.489325 -0.677866
C -7.032199 -0.798940 -1.316665
H 1.532690 1.171780 -1.511644
H 0.926284 0.133968 1.551552
H 0.342676 1.680639 2.160282
H 1.982783 4.072758 0.035621
H 0.687073 3.259099 -0.874119
H 0.471109 3.650815 0.857170
H 3.052380 1.171254 2.169595
H 2.516674 2.859831 2.358876
H 3.811229 2.449058 1.183850
H -1.056008 1.963801 0.031127
H -0.549631 0.348811 -0.478855
H 3.752418 3.581442 -0.674624
H 2.966122 3.343242 -2.274213
H 4.738429 3.130035 -2.080548
H 5.040361 1.046123 -2.782474
H 3.330388 0.846166 -3.308876
H 4.084730 -0.343448 -2.194656
H 0.747923 -1.031147 -1.617855
H 4.247331 -0.217686 0.793025
H 0.912767 -3.451606 -1.058004
H 4.412304 -2.645064 1.373162
H 2.331403 -4.896042 1.594220
H 2.190657 -5.334428 -0.127187
H 3.799324 -5.053635 0.600181
H -2.603135 0.841201 -1.433723
H -4.030753 -0.722042 2.350189
H -4.799497 0.335802 -2.483160
H -6.257060 -1.238939 1.289685
H -7.850482 -0.250537 -0.812996
H -7.047934 -0.523259 -2.384728
H -7.271779 -1.876226 -1.240611


