%chk=000216567.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216567

0 1
O -0.652438 -1.293290 0.262217
O -2.406738 0.353766 1.733783
O 0.119997 -0.260285 -2.217455
O -2.357823 3.516359 -1.564365
O -2.577537 -1.477648 -0.918821
N -2.333803 1.955775 0.131505
N -0.981329 1.686439 -1.842770
C 0.640748 0.623790 0.895918
C -0.605116 0.129191 0.091093
C 0.660088 -0.012758 2.303709
C 1.942801 0.352193 0.174016
C -1.867506 0.756830 0.733129
C -0.445261 0.436715 -1.415825
C 1.672845 0.670131 3.214390
C 2.301173 -0.949711 -0.205949
C 2.818872 1.416747 -0.085104
C -1.923942 2.473801 -1.130407
C -1.704851 -2.031841 -0.305744
C 3.523089 -1.183123 -0.840863
C 4.041733 1.177946 -0.718975
C -1.448759 -3.473879 0.012741
C 4.396189 -0.120557 -1.096978
C -2.718471 -4.134667 0.531724
H 0.516092 1.734563 1.013102
H 0.886788 -1.095199 2.217188
H -0.352002 0.036331 2.759599
H 1.704872 0.184000 4.197223
H 2.687648 0.626373 2.796972
H 1.430524 1.725442 3.382122
H 1.610167 -1.773941 -0.020518
H 2.554965 2.431507 0.206784
H -3.114048 2.450642 0.596320
H -0.769122 1.988853 -2.808853
H 3.793656 -2.194084 -1.141331
H 4.718352 2.007063 -0.919718
H -1.089504 -3.978202 -0.914305
H -0.620994 -3.573388 0.751484
H 5.347503 -0.303976 -1.592911
H -3.553518 -4.022896 -0.175789
H -2.564861 -5.209120 0.693377
H -3.043276 -3.701390 1.487786


%chk=000216567-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216567

0 1
O -0.636054 -1.391832 0.497673
O -2.393497 0.310732 1.942697
O -0.020640 -0.494146 -2.093122
O -2.250534 3.524265 -1.416869
O -2.660501 -1.439782 -0.647503
N -2.219036 1.942034 0.304332
N -0.977596 1.578976 -1.677460
C 0.702964 0.622407 0.961633
C -0.602137 0.052860 0.249415
C 0.800899 0.116133 2.431823
C 1.984458 0.355447 0.169191
C -1.836641 0.726863 0.899914
C -0.523588 0.307374 -1.276604
C 1.841889 0.916872 3.242721
C 2.483608 -0.960508 -0.010189
C 2.715342 1.441284 -0.373611
C -1.834927 2.431751 -0.959875
C -1.761529 -2.060047 -0.041773
C 3.685647 -1.180702 -0.715044
C 3.921750 1.223841 -1.077643
C -1.673815 -3.545774 0.220208
C 4.410980 -0.090147 -1.250163
C -2.967938 -4.292712 -0.149878
H 0.552649 1.721719 0.992577
H 1.070668 -0.954448 2.423778
H -0.188144 0.185369 2.919034
H 1.898085 0.536247 4.278386
H 2.849325 0.840301 2.796618
H 1.573325 1.989329 3.294263
H 1.919044 -1.810381 0.386226
H 2.343331 2.465082 -0.239004
H -2.942537 2.486245 0.785408
H -0.794638 1.850880 -2.648911
H 4.055377 -2.202947 -0.853097
H 4.476342 2.075494 -1.487245
H -0.814302 -3.929743 -0.364628
H -1.406873 -3.692718 1.283268
H 5.344635 -0.263469 -1.796794
H -3.228659 -4.129657 -1.209043
H -2.842318 -5.376332 0.018080
H -3.817211 -3.941661 0.460716


