%chk=000238388.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238388

0 1
O 5.215959 0.969076 0.625897
O -5.578648 0.525903 0.455333
N -4.291486 -1.873913 0.425374
C 2.872634 0.547943 0.156937
C 2.169447 -0.700516 -0.470869
C 0.698151 -0.746539 -0.045648
C 0.002510 0.511540 -0.643989
C 4.345512 0.276571 -0.282805
C 2.223132 1.803657 -0.448447
C 3.103901 -1.871441 -0.119487
C 0.708581 1.804526 -0.173253
C 4.524201 -1.261275 -0.181743
C -0.028636 -1.999601 -0.549867
C 2.809458 0.601827 1.687839
C -1.482380 0.510689 -0.338379
C -1.462629 -2.025875 -0.011015
C -2.162288 -0.693821 -0.051794
C -2.196565 1.714549 -0.406962
C -3.550753 -0.667020 0.211689
C -3.570637 1.763228 -0.161405
C -4.227762 0.577212 0.156122
H 2.191690 -0.591104 -1.586372
H 0.624528 -0.713220 1.067334
H 0.094533 0.459388 -1.761768
H 4.556551 0.652983 -1.303015
H 2.412139 1.855089 -1.535799
H 2.683406 2.713510 -0.018588
H 2.990204 -2.710991 -0.821661
H 2.888082 -2.270349 0.885831
H 0.529920 1.944480 0.911708
H 0.252391 2.681242 -0.672658
H 5.098899 -1.514375 0.725741
H 5.091131 -1.655751 -1.037407
H 0.507533 -2.912955 -0.232974
H -0.037532 -2.022339 -1.656435
H 3.474213 1.393643 2.063643
H 1.798547 0.805102 2.053272
H 3.152715 -0.333557 2.141170
H -1.458204 -2.395851 1.036435
H -2.054889 -2.767661 -0.593739
H 6.147469 0.797722 0.399093
H -1.677836 2.640709 -0.658329
H -4.107349 2.704775 -0.213527
H -3.893312 -2.459245 1.151927
H -5.272696 -1.696664 0.635323
H -6.003934 1.408502 0.346564


%chk=000238388-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238388

0 1
O 5.340751 1.097191 0.348395
O -5.695789 0.483907 0.426352
N -4.330570 -1.814886 0.479324
C 2.919030 0.544568 0.167063
C 2.183677 -0.708724 -0.406349
C 0.692224 -0.737300 -0.032428
C 0.006202 0.540490 -0.611207
C 4.357279 0.236741 -0.325579
C 2.265252 1.808571 -0.435815
C 3.102100 -1.901649 -0.020660
C 0.735314 1.843492 -0.167758
C 4.547431 -1.291069 -0.045383
C -0.045465 -1.981340 -0.564938
C 2.909673 0.611876 1.717317
C -1.506242 0.546241 -0.321184
C -1.494661 -2.027641 -0.038416
C -2.199110 -0.674820 -0.064866
C -2.236646 1.760249 -0.339962
C -3.601532 -0.658854 0.196283
C -3.630592 1.779858 -0.103799
C -4.302496 0.579023 0.165141
H 2.227667 -0.613945 -1.517599
H 0.594460 -0.728122 1.074224
H 0.133041 0.469852 -1.717824
H 4.400279 0.421386 -1.423629
H 2.440888 1.815445 -1.532874
H 2.737961 2.723162 -0.028772
H 2.995747 -2.747266 -0.723120
H 2.849429 -2.282324 0.987287
H 0.536002 2.023569 0.906624
H 0.313122 2.711219 -0.708849
H 5.047485 -1.409916 0.933920
H 5.187828 -1.772228 -0.807647
H 0.484197 -2.907168 -0.269269
H -0.047509 -1.948430 -1.674165
H 3.589351 1.414642 2.049750
H 1.901680 0.821469 2.113384
H 3.260029 -0.329269 2.177022
H -1.488027 -2.414602 1.005075
H -2.074578 -2.763926 -0.635652
H 6.241638 0.895484 -0.008265
H -1.726730 2.706267 -0.538642
H -4.181553 2.729586 -0.124819
H -3.883112 -2.720725 0.556565
H -5.328453 -1.726584 0.651476
H -6.116771 1.376304 0.393565


