%chk=000213162.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213162

0 1
O -0.718153 1.147677 -0.539510
O -2.698456 -3.000950 -0.533695
O -2.470722 -1.398597 1.062387
O -2.629879 0.549806 -1.653488
N -0.613684 -2.258139 -0.090413
N -2.660374 2.083517 0.133690
C 1.083057 -0.476594 -0.753588
C 1.685715 -1.450796 -1.800836
C 0.368656 -1.258202 0.387755
C 0.075353 0.419947 -1.522586
C 2.129408 0.434874 -0.110860
C 2.551771 -2.558583 -1.209098
C 3.456470 0.492019 -0.556627
C 1.737996 1.278397 0.945339
C 4.378818 1.345576 0.059274
C 2.657314 2.128900 1.559827
C 3.985914 2.161083 1.122187
C -1.954250 -2.107952 0.218704
C -2.097501 1.169201 -0.755973
C -4.114447 1.954302 0.437587
C -4.375694 1.096953 1.668791
H 0.869771 -1.907745 -2.397929
H 2.281226 -0.868273 -2.535061
H -0.146832 -0.533132 1.069145
H 1.128937 -1.795123 1.001804
H 0.584668 1.207068 -2.106011
H -0.595906 -0.165689 -2.180728
H 3.114008 -3.077665 -1.995167
H 3.283245 -2.170399 -0.488180
H 1.959509 -3.316778 -0.683921
H 3.791223 -0.121189 -1.392769
H 0.694596 1.284808 1.271427
H -0.350248 -2.843106 -0.883142
H 5.407444 1.373416 -0.296739
H 2.338263 2.772412 2.378139
H 4.704631 2.821560 1.602549
H -2.075922 2.386070 0.916573
H -4.634396 1.529747 -0.454810
H -4.502448 2.989052 0.580251
H -3.666866 -2.934043 -0.312060
H -5.449287 0.945553 1.826610
H -3.967758 1.538020 2.584107
H -3.921771 0.093500 1.568347


%chk=000213162-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213162

0 1
O -0.687978 1.198212 -0.683509
O -2.768283 -3.217976 -0.471009
O -2.595746 -1.393913 1.000420
O -2.703340 0.490073 -1.712298
N -0.731492 -2.257412 -0.154070
N -2.658382 2.061456 0.040831
C 1.067884 -0.553964 -0.687712
C 1.781792 -1.547415 -1.673081
C 0.268705 -1.338450 0.398637
C 0.076696 0.279963 -1.547597
C 2.109493 0.381101 -0.024403
C 2.783990 -2.519201 -1.012478
C 3.000580 1.127451 -0.843455
C 2.215349 0.550028 1.380498
C 3.959239 1.999820 -0.287458
C 3.176167 1.421340 1.944246
C 4.054949 2.150865 1.115278
C -2.055797 -2.200039 0.198750
C -2.100191 1.187824 -0.856297
C -4.113054 2.138163 0.254971
C -4.552960 1.428545 1.554240
H 1.011196 -2.121586 -2.228197
H 2.314204 -0.958920 -2.444381
H -0.283505 -0.630186 1.038254
H 0.974347 -1.898870 1.040862
H 0.624781 0.897345 -2.281573
H -0.635169 -0.377506 -2.079107
H 3.289341 -3.131139 -1.781345
H 3.560182 -1.968489 -0.452109
H 2.290195 -3.214970 -0.309487
H 2.949310 1.035758 -1.935181
H 1.547589 0.011495 2.058924
H -0.453251 -3.002456 -0.792962
H 4.629150 2.562322 -0.947709
H 3.233119 1.530143 3.033449
H 4.798472 2.826905 1.551786
H -2.025220 2.504985 0.708280
H -4.584187 1.660403 -0.620444
H -4.420378 3.201701 0.265134
H -3.729707 -3.110045 -0.258519
H -5.653998 1.460818 1.652691
H -4.119979 1.919627 2.446301
H -4.220712 0.376695 1.542132


