%chk=000198780.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198780

1 1
O 0.536910 1.154639 1.005269
O -1.825547 -4.481052 -0.151901
O -4.419185 -0.236363 0.022921
O -3.427308 2.076096 -1.465736
N -2.427290 -2.300876 -0.161041
N -1.288559 3.162962 -0.047014
N -1.135430 4.269421 -0.039479
C 3.741814 0.011307 -0.014244
C 4.076999 1.091080 -1.063415
C 3.248539 2.391889 -1.056464
C 2.376181 -0.590655 -0.225360
C 1.587353 -1.048710 0.759444
C 0.213772 -1.541085 0.450796
C 4.790255 -1.110139 -0.071980
C 3.046609 2.983110 0.343702
C 1.910610 2.237972 -1.792845
C -0.850482 -0.545699 0.289290
C -0.048802 -2.869829 0.299793
C -2.148898 -0.995350 -0.031919
C 1.940353 -1.111075 2.208817
C -1.388830 -3.377005 0.000185
C -0.600452 0.849133 0.412112
C 0.984786 -3.935885 0.430496
C -3.276555 0.019577 -0.208977
C -1.516184 1.844047 -0.068645
C -2.805181 1.411016 -0.693658
H 3.790381 0.479140 1.003561
H 4.033824 0.644769 -2.078072
H 5.145485 1.369689 -0.927807
H 3.854245 3.143338 -1.638687
H 2.060371 -0.643875 -1.269657
H 4.821417 -1.595914 -1.054579
H 5.799202 -0.730257 0.131176
H 4.584604 -1.890779 0.669802
H 2.743442 4.035858 0.293690
H 3.987612 2.960258 0.916478
H 2.310140 2.426730 0.950313
H 1.285477 1.451094 -1.369658
H 2.087314 1.957367 -2.843754
H 1.358924 3.181371 -1.823460
H 2.919578 -0.655740 2.423043
H 1.998050 -2.153837 2.559484
H 1.198984 -0.597214 2.836244
H -3.394817 -2.621073 -0.364225
H 0.794899 -4.789651 -0.243104
H 1.008769 -4.347886 1.453590
H 1.998928 -3.572292 0.201605
H 0.990491 2.079479 0.843370


%chk=000198780-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198780

1 1
O 0.119621 1.619437 0.654210
O -1.439791 -4.395865 -0.813292
O -4.725568 -0.975279 -0.113338
O -4.726319 1.838745 0.395644
N -2.395606 -2.356731 -0.240547
N -2.298841 3.100144 0.688531
N -2.645217 4.214209 0.826610
C 3.928055 -0.205783 0.136666
C 4.531916 0.692920 -0.987295
C 3.864809 2.075182 -1.254900
C 2.523186 -0.675371 -0.151779
C 1.470646 -0.700164 0.734667
C 0.150804 -1.250750 0.297058
C 4.834066 -1.468839 0.318111
C 3.646203 2.891658 0.041637
C 2.562877 1.978190 -2.086614
C -1.073129 -0.427708 0.331381
C 0.046136 -2.600668 -0.091769
C -2.334219 -1.040460 0.075129
C 1.595010 -0.251450 2.184870
C -1.260598 -3.213093 -0.425662
C -1.083956 1.000006 0.499977
C 1.188773 -3.574935 -0.167242
C -3.656157 -0.346812 0.094724
C -2.303125 1.762170 0.504442
C -3.671698 1.170209 0.345737
H 3.949987 0.355560 1.089199
H 4.555959 0.114076 -1.933917
H 5.590065 0.869556 -0.708039
H 4.595016 2.638322 -1.872921
H 2.353569 -1.052849 -1.172747
H 4.854021 -2.082405 -0.601504
H 5.870711 -1.154841 0.535884
H 4.486933 -2.104506 1.152339
H 3.328878 3.924172 -0.195498
H 4.572966 2.959127 0.640794
H 2.866264 2.429965 0.680376
H 1.770337 1.438848 -1.534866
H 2.736483 1.446122 -3.039905
H 2.184433 2.988226 -2.335222
H 2.056935 0.747024 2.274803
H 2.235369 -0.958912 2.746244
H 0.620193 -0.223704 2.699876
H -3.326812 -2.771690 -0.419523
H 1.464621 -3.764314 -1.223824
H 0.869011 -4.557174 0.225406
H 2.082108 -3.223865 0.366373
H 0.107870 2.613399 0.629214


