%chk=000244736.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244736

0 1
O 0.641306 -0.990841 2.120852
O -5.303025 2.964123 -0.663094
O -4.601899 2.144381 1.212203
N 2.492829 0.508673 -0.185551
N 2.748337 1.646958 0.202919
N -4.428400 2.529996 0.068336
C 0.392795 1.362904 0.674023
C 1.061595 0.096316 0.042090
C 1.584589 2.355836 0.818980
C -0.717232 1.904103 -0.183183
C 1.005553 -1.127280 0.973349
C -2.019428 1.962141 0.328993
C -0.469674 2.350933 -1.493644
C 1.335909 -2.454500 0.391126
C -3.049756 2.467510 -0.476254
C -1.506950 2.851568 -2.284393
C -2.808968 2.914961 -1.782288
C 0.747312 -3.586376 0.984587
C 2.213729 -2.613521 -0.690492
C 1.016960 -4.860735 0.484007
C 2.487045 -3.892861 -1.183013
C 1.886938 -5.014257 -0.601397
H 0.007234 1.101710 1.695829
H 0.604326 -0.173462 -0.941154
H 1.813960 2.587878 1.879677
H 1.422163 3.327306 0.313231
H -2.246425 1.618843 1.345830
H 0.544145 2.307450 -1.899006
H -1.301227 3.195619 -3.299486
H -3.633075 3.304997 -2.389414
H 0.082749 -3.457575 1.843482
H 2.703642 -1.748446 -1.144453
H 0.555453 -5.734615 0.942130
H 3.173290 -4.014851 -2.020266
H 2.100300 -6.009887 -0.991059


%chk=000244736-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244736

0 1
O 0.515616 -1.110840 2.166203
O -5.350195 3.385328 -0.830574
O -4.745397 2.376585 1.122526
N 2.346927 0.387532 -0.324661
N 2.655549 1.523770 0.169532
N -4.480692 2.824717 -0.058640
C 0.254511 1.267818 0.677143
C 0.874592 -0.000580 0.025777
C 1.510735 2.163341 0.930331
C -0.797485 1.934447 -0.196422
C 0.893824 -1.236584 0.964031
C -2.126284 2.070484 0.265838
C -0.473764 2.428896 -1.491052
C 1.339640 -2.549160 0.413269
C -3.087510 2.687760 -0.561917
C -1.450891 3.043497 -2.304277
C -2.777894 3.180882 -1.846366
C 1.133798 -3.713083 1.206816
C 1.960573 -2.671960 -0.860808
C 1.528522 -4.977071 0.730711
C 2.360071 -3.940561 -1.330837
C 2.141313 -5.093881 -0.541687
H -0.192248 0.974785 1.642177
H 0.405358 -0.283364 -0.933511
H 1.811585 2.195444 1.992964
H 1.405797 3.202439 0.573868
H -2.426800 1.705702 1.252667
H 0.553248 2.334996 -1.865932
H -1.179122 3.417169 -3.296640
H -3.558621 3.651770 -2.448867
H 0.662952 -3.596389 2.188463
H 2.168945 -1.780753 -1.459675
H 1.362532 -5.869659 1.343215
H 2.847614 -4.030693 -2.307340
H 2.449303 -6.077786 -0.912827


