%chk=000212614.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212614

0 1
O 1.189626 1.191127 0.684788
O 2.743306 -0.943260 1.336092
N -2.552137 1.030424 -0.284761
C -3.807466 1.801698 -0.000512
C -2.861192 -0.259794 -0.986690
C -4.534904 2.121524 -1.317173
C -3.576562 0.027028 -2.317555
C -4.858530 0.838381 -2.092646
C -1.783571 0.772729 0.977611
C -0.912198 1.997119 1.307696
C 0.196690 2.196510 0.279249
C 2.243949 0.954915 -0.147864
C 3.009630 -0.197455 0.180845
C 2.623642 1.737666 -1.244655
C 4.133841 -0.548958 -0.560680
C 3.757356 1.377241 -1.984196
C 4.509688 0.250656 -1.648835
C 1.581335 -1.706141 1.367471
C 0.777625 -1.985595 0.256200
C 1.307631 -2.228334 2.645752
C -0.330269 -2.818971 0.438042
C 0.196669 -3.054193 2.794041
C -0.624275 -3.351343 1.696063
H -3.516864 2.748508 0.503576
H -4.494091 1.264267 0.688705
H -3.475399 -0.948626 -0.368114
H -1.894945 -0.773114 -1.187633
H -5.458109 2.689523 -1.104452
H -3.895864 2.779889 -1.938925
H -3.804749 -0.924601 -2.830001
H -2.894146 0.588948 -2.986335
H -5.327828 1.086630 -3.062227
H -5.599962 0.233851 -1.537163
H -1.110530 -0.106799 0.833580
H -2.432384 0.528237 1.844457
H -0.459102 1.856697 2.312549
H -1.528684 2.915282 1.361810
H 0.673700 3.186495 0.348216
H -0.137292 1.982069 -0.752002
H 2.058106 2.622088 -1.521331
H 4.706883 -1.433430 -0.283327
H 4.053265 1.992442 -2.834208
H 5.389794 -0.013866 -2.230552
H 1.008356 -1.567660 -0.719624
H 1.958274 -1.980653 3.480512
H -0.965511 -3.057948 -0.414391
H -0.036529 -3.472906 3.772814
H -1.485972 -4.000097 1.825685


%chk=000212614-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212614

0 1
O 1.058883 1.109525 0.614693
O 2.734649 -0.969161 1.314419
N -2.614091 1.064426 -0.157426
C -3.746804 2.025539 -0.153946
C -3.056864 -0.281467 -0.609767
C -4.368518 2.162769 -1.559351
C -3.651871 -0.220155 -2.031091
C -4.824654 0.785115 -2.090801
C -1.898524 1.015561 1.143814
C -0.953200 2.221210 1.345450
C 0.173277 2.258965 0.312848
C 2.191421 0.926945 -0.174944
C 3.025534 -0.177449 0.173510
C 2.567661 1.749759 -1.265499
C 4.213332 -0.431149 -0.533014
C 3.760672 1.483969 -1.977604
C 4.589900 0.401218 -1.614010
C 1.611554 -1.831641 1.300782
C 0.905862 -2.174489 0.124715
C 1.260254 -2.391301 2.550180
C -0.166757 -3.091141 0.212362
C 0.187591 -3.304823 2.620382
C -0.533006 -3.660250 1.453945
H -3.381892 3.010186 0.191594
H -4.542457 1.697482 0.568688
H -3.826172 -0.708852 0.087951
H -2.182609 -0.957298 -0.585691
H -5.221061 2.868107 -1.517745
H -3.610657 2.590919 -2.243995
H -3.987943 -1.230952 -2.333636
H -2.858014 0.095429 -2.735949
H -5.209325 0.874472 -3.124543
H -5.661303 0.409977 -1.465083
H -1.290033 0.093572 1.168187
H -2.612018 0.960632 2.004295
H -0.512973 2.173474 2.359454
H -1.515691 3.172878 1.280069
H 0.760961 3.196466 0.385678
H -0.244782 2.146861 -0.707152
H 1.940858 2.597361 -1.556906
H 4.831316 -1.278603 -0.220159
H 4.039430 2.132345 -2.815534
H 5.516718 0.202115 -2.161179
H 1.191849 -1.739877 -0.838362
H 1.830088 -2.103000 3.438608
H -0.710759 -3.366214 -0.698947
H -0.085633 -3.740017 3.588260
H -1.363899 -4.371238 1.512351


