%chk=000280711.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280711

0 1
O 2.349310 -1.225038 0.159127
O 3.313695 -3.070360 1.171330
N -2.345719 0.599847 -0.297712
N 1.102759 -1.851718 0.353627
C -2.271561 -0.891316 -0.518395
C -1.135173 1.154201 0.392667
C -1.277273 -1.588005 0.436066
C 0.183650 0.456931 -0.012756
C 0.107511 -1.019254 0.260847
C -3.656827 -1.480677 -0.299346
C -1.051379 2.663978 0.249438
C -2.685781 1.283234 -1.578678
C -4.078162 -2.544613 -1.111849
C -1.804618 3.459549 1.128699
C -4.504341 -0.999615 0.707723
C -0.252123 3.282899 -0.721669
C -5.335610 -3.121049 -0.914339
C -1.747398 4.852422 1.044099
C -5.762631 -1.577380 0.899665
C -0.194806 4.677811 -0.801910
C -6.179910 -2.639184 0.091307
C -0.939536 5.465254 0.080433
C 3.430506 -2.036162 0.578605
C 4.672857 -1.322387 0.179001
C 5.849484 -1.600777 0.892718
C 4.688273 -0.411637 -0.886669
C 7.038893 -0.959706 0.539909
C 5.882602 0.224620 -1.234786
C 7.055168 -0.048152 -0.521917
H -1.939575 -1.116129 -1.570108
H -1.310894 0.922671 1.485491
H -1.295067 -2.686590 0.260398
H -1.593997 -1.464931 1.495339
H 1.040650 0.906766 0.533866
H 0.405318 0.617349 -1.088411
H -2.954650 2.332211 -1.362704
H -3.584161 0.810790 -2.010906
H -1.886013 1.279391 -2.332224
H -3.428830 -2.927322 -1.896763
H -2.444887 2.987485 1.873803
H -4.182670 -0.162407 1.328958
H 0.326876 2.684146 -1.422152
H -5.657921 -3.947348 -1.545302
H -2.333877 5.461939 1.729976
H -6.418767 -1.198133 1.681021
H 0.432083 5.150775 -1.556010
H -7.158610 -3.089104 0.243407
H -0.892774 6.550537 0.017494
H 5.827566 -2.320554 1.715044
H 3.768689 -0.206092 -1.438160
H 7.954300 -1.172275 1.090931
H 5.900022 0.932124 -2.062429
H 7.985629 0.449785 -0.795495


%chk=000280711-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280711

0 1
O 2.356452 -1.191478 0.225085
O 3.347725 -3.339136 0.265725
N -2.191918 0.540725 -0.475538
N 1.050135 -1.882732 0.483016
C -2.255440 -0.951148 -0.392732
C -1.153765 1.181392 0.399191
C -1.305676 -1.505116 0.715875
C 0.238273 0.512945 0.240488
C 0.098485 -0.978164 0.486927
C -3.684250 -1.476820 -0.188064
C -1.152096 2.702994 0.238712
C -2.269292 1.011021 -1.874272
C -3.994072 -2.818855 -0.526765
C -2.305127 3.425934 0.643278
C -4.696148 -0.659461 0.368010
C -0.050880 3.423989 -0.283216
C -5.288057 -3.338122 -0.302648
C -2.359901 4.830363 0.524987
C -5.992821 -1.175702 0.593070
C -0.099960 4.833022 -0.401637
C -6.292840 -2.517395 0.262494
C -1.253662 5.541371 0.000211
C 3.449258 -2.103690 0.160053
C 4.724513 -1.353261 -0.061189
C 5.915567 -2.115414 -0.187872
C 4.781585 0.062950 -0.144452
C 7.150480 -1.468665 -0.396536
C 6.020163 0.705797 -0.352492
C 7.205579 -0.056731 -0.479479
H -1.877046 -1.381059 -1.351003
H -1.477759 0.987668 1.443065
H -1.305536 -2.606717 0.697959
H -1.677441 -1.194076 1.711566
H 0.978057 0.941410 0.944207
H 0.652197 0.668790 -0.775662
H -2.367075 2.107653 -1.907158
H -3.171673 0.577575 -2.341292
H -1.389883 0.718078 -2.498629
H -3.221854 -3.459226 -0.973925
H -3.164291 2.872673 1.040997
H -4.448912 0.383839 0.592892
H 0.854264 2.895682 -0.601321
H -5.514719 -4.376077 -0.571899
H -3.258640 5.370802 0.842840
H -6.769909 -0.532145 1.021855
H 0.761974 5.374957 -0.807057
H -7.298344 -2.917557 0.435377
H -1.291532 6.632616 -0.090894
H 5.847902 -3.206169 -0.118896
H 3.861627 0.645194 -0.043333
H 8.067026 -2.060318 -0.493935
H 6.063765 1.798655 -0.414654
H 8.165794 0.445937 -0.641028


