%chk=000271040.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271040

0 1
S 6.045423 1.468170 1.679561
S 6.451012 -2.941130 2.226094
O 6.085411 2.209521 2.923072
O 7.075645 1.647950 0.698815
N 6.207329 -0.172855 2.334373
N 0.665338 1.872097 -0.777602
N -0.343845 1.276016 -0.322594
N 5.696267 -1.369526 0.293537
N -3.251103 2.408751 -2.504680
N 5.652451 -2.619793 -0.214262
N -4.841161 -0.060905 -0.069875
N -1.060752 3.118233 -2.702105
N -5.483166 1.812647 -2.446467
N -6.050265 -0.113653 -0.414156
C 4.487505 1.529440 0.993176
C 4.277499 1.136251 -0.337019
C 3.409969 1.990652 1.767255
C 1.931164 1.669878 -0.115091
C 3.001448 1.203999 -0.897237
C 2.132091 2.063486 1.223941
C 6.095617 -1.307056 1.578712
C -1.600952 1.469362 -0.923864
C -2.628913 0.706781 -0.334196
C -3.951036 0.771129 -0.789891
C -1.958118 2.328797 -2.038432
C -4.236954 1.656353 -1.908186
C 5.999424 -3.587714 0.607505
C 6.050575 -5.030096 0.353179
C -6.925699 -0.962906 0.362105
C -6.751893 -1.234088 1.730509
C -8.043439 -1.466059 -0.330776
C -7.701808 -2.006834 2.402040
C -8.979897 -2.240657 0.355129
C -8.813138 -2.510448 1.718517
H 5.116317 0.766719 -0.946410
H 3.576146 2.300964 2.806639
H 6.496849 -0.283910 3.317369
H 2.835992 0.887315 -1.927449
H 1.291939 2.414187 1.822202
H -2.382227 0.042676 0.508724
H 7.068694 -5.436105 0.474614
H 5.381143 -5.594269 1.023208
H 5.736744 -5.264444 -0.682477
H -0.076959 3.132607 -2.458362
H -1.364510 3.693692 -3.475423
H -5.627099 2.443824 -3.222184
H -6.286075 1.305374 -2.088761
H -5.881550 -0.844425 2.259039
H -8.169547 -1.254289 -1.391537
H -7.573260 -2.218715 3.463005
H -9.845477 -2.636825 -0.174623
H -9.549650 -3.113471 2.246841


%chk=000271040-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271040

0 1
S 5.423461 0.584449 2.560191
S 8.682130 -2.303171 1.596167
O 5.057528 0.619814 4.144320
O 6.465003 1.633068 1.897482
N 6.138205 -1.250702 2.358762
N 0.311814 0.504015 -0.711569
N -0.837450 0.439005 -0.047810
N 6.816813 -1.104456 0.072086
N -3.316749 0.528850 -2.916685
N 7.864154 -1.423531 -0.792019
N -5.598967 0.291981 0.117490
N -0.980681 0.592474 -3.010345
N -5.653663 0.466879 -2.851021
N -6.783896 0.296604 -0.470890
C 3.839713 0.517170 1.562061
C 3.929998 0.552868 0.160049
C 2.630027 0.460155 2.280500
C 1.470582 0.499683 0.120769
C 2.719626 0.546274 -0.559040
C 1.431976 0.455406 1.545513
C 7.039172 -1.474615 1.344873
C -2.009036 0.445301 -0.802316
C -3.221474 0.370878 -0.075761
C -4.474483 0.372549 -0.718133
C -2.117680 0.522852 -2.268407
C -4.467183 0.458199 -2.187799
C 8.884230 -2.058777 -0.220841
C 10.088235 -2.562193 -0.953889
C -7.897866 0.209857 0.421290
C -7.785663 0.111877 1.837597
C -9.181407 0.223779 -0.187186
C -8.950699 0.029517 2.622407
C -10.343302 0.141357 0.607834
C -10.232605 0.043676 2.014927
H 4.902009 0.553098 -0.342247
H 2.637044 0.435420 3.374840
H 6.383226 -1.557594 3.311955
H 2.726678 0.569018 -1.653063
H 0.460749 0.419530 2.045615
H -3.182862 0.310746 1.015871
H 11.018503 -2.108880 -0.567230
H 10.186029 -3.659476 -0.865488
H 9.985145 -2.302038 -2.019631
H -0.089196 0.585569 -2.465417
H -1.058825 0.647031 -4.026235
H -5.647126 0.525196 -3.869685
H -6.503871 0.410094 -2.244318
H -6.788943 0.102529 2.287764
H -9.247343 0.299591 -1.278109
H -8.866854 -0.046216 3.712359
H -11.330673 0.152867 0.133808
H -11.134055 -0.020879 2.634103


