%chk=000211558.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211558

0 1
O 6.583910 -3.177823 0.395829
O 0.220595 -1.960085 -0.932813
O -5.502256 -1.430174 1.679182
N 4.384405 -1.395981 0.028481
N 1.037493 0.158997 -0.726626
N 0.912604 1.478254 -0.514827
C 3.081304 -0.747703 0.378589
C 5.428079 -1.123835 1.070379
C 4.216366 -2.876363 -0.151195
C 2.436717 -0.322402 -0.958488
C 6.749239 -1.761447 0.608592
C 5.565402 -3.469833 -0.584079
C -0.049519 -0.796182 -0.705701
C -1.366887 -0.200144 -0.419890
C -0.298355 1.980046 -0.277957
C -1.478448 1.143886 -0.225260
C -2.538067 -1.098998 -0.355643
C -0.409412 3.441271 -0.064381
C -3.506850 -0.896762 0.632380
C -2.688862 -2.141671 -1.289333
C -1.104674 3.928838 1.054238
C 0.172020 4.335798 -0.975876
C -4.630329 -1.746088 0.659270
C -3.812170 -2.966377 -1.239110
C -4.802961 -2.780002 -0.268547
C -1.223054 5.306631 1.250033
C 0.048035 5.712931 -0.771621
C -0.649995 6.199612 0.337815
C -6.690326 -2.243827 1.829572
H 3.244030 0.151264 1.011578
H 2.393987 -1.411118 0.947678
H 5.152571 -1.514679 2.073326
H 5.554791 -0.024121 1.163080
H 3.450358 -3.052689 -0.937508
H 3.858493 -3.386333 0.769574
H 2.387654 -1.183158 -1.667949
H 3.040812 0.477097 -1.443634
H 7.121375 -1.299469 -0.322974
H 7.525157 -1.727751 1.392853
H 5.553425 -4.573611 -0.591746
H 5.889713 -3.080700 -1.565148
H -2.445500 1.618885 -0.037482
H -3.411969 -0.119385 1.385693
H -1.912343 -2.317790 -2.034673
H -1.541771 3.237314 1.772484
H 0.723120 3.955032 -1.835815
H -3.921616 -3.772484 -1.965872
H -5.670094 -3.429491 -0.244991
H -1.761328 5.686153 2.117430
H 0.498737 6.407414 -1.479387
H -0.745672 7.272814 0.493628
H -6.416468 -3.281147 2.042557
H -7.322269 -2.161585 0.940799
H -7.171996 -1.778135 2.699386


%chk=000211558-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211558

0 1
O 6.764567 -3.110485 0.158286
O 0.291320 -2.102698 -0.828109
O -5.793258 -1.158416 1.529818
N 4.452481 -1.366439 -0.032153
N 1.025934 0.108471 -0.712442
N 0.906640 1.456221 -0.500007
C 3.146705 -0.757563 0.298113
C 5.499885 -1.142153 0.996771
C 4.353292 -2.814666 -0.357461
C 2.404461 -0.352127 -0.999869
C 6.847779 -1.676639 0.482753
C 5.713900 -3.330861 -0.851293
C -0.009496 -0.880645 -0.628786
C -1.343901 -0.331416 -0.312010
C -0.326864 1.929171 -0.208282
C -1.457014 1.046366 -0.127223
C -2.523855 -1.229255 -0.201827
C -0.433666 3.399993 -0.000094
C -3.625974 -0.845120 0.605774
C -2.596589 -2.463041 -0.914870
C -1.562175 3.978281 0.642177
C 0.611215 4.259543 -0.439829
C -4.781389 -1.653546 0.689640
C -3.755755 -3.256928 -0.827848
C -4.859449 -2.869969 -0.033238
C -1.647018 5.374604 0.831755
C 0.525999 5.652590 -0.248048
C -0.605350 6.219528 0.386601
C -7.011134 -1.960675 1.666866
H 3.316023 0.151047 0.904984
H 2.498295 -1.444833 0.890937
H 5.250965 -1.652074 1.961176
H 5.586502 -0.056878 1.193780
H 3.590968 -2.968985 -1.142540
H 4.037785 -3.405606 0.538326
H 2.330570 -1.217885 -1.675441
H 2.935695 0.472902 -1.496362
H 7.149311 -1.104752 -0.421516
H 7.630767 -1.593961 1.254763
H 5.690705 -4.420480 -1.017735
H 5.987599 -2.812174 -1.795361
H -2.447223 1.478275 0.040593
H -3.601389 0.064032 1.214815
H -1.743656 -2.789930 -1.511329
H -2.373346 3.345702 1.018530
H 1.481797 3.815406 -0.931185
H -3.803651 -4.199532 -1.384142
H -5.744157 -3.510703 0.023371
H -2.523509 5.800695 1.332254
H 1.338678 6.299040 -0.597653
H -0.672855 7.303190 0.532627
H -6.791356 -2.958127 2.095068
H -7.527330 -2.079837 0.694205
H -7.651276 -1.393766 2.358571


