%chk=000276399.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276399

0 1
O 0.683445 1.870710 -1.110663
O 0.155947 1.700992 2.410484
O -1.367908 3.346562 1.217684
O 5.026312 -2.487893 -0.579959
O -0.583749 3.816384 -3.095575
N 0.376710 -0.089283 0.184505
N 2.465264 -1.397391 -0.006240
N 0.161089 -2.390829 0.131426
C 1.071658 1.196928 0.095777
C 0.800128 2.202443 1.258970
C -0.067574 3.336745 0.629323
C -0.263924 2.949135 -0.849930
C 1.030848 -1.370339 0.082617
C -1.011199 -0.376075 0.257608
C 0.093107 4.045871 -1.859005
C -1.121087 -1.808256 0.244093
C 2.913337 -1.587351 -1.430996
C 3.061040 -2.452327 0.884434
C -2.156042 0.427649 0.348460
C 4.446879 -1.502118 -1.457017
C 4.589595 -2.342252 0.786932
C -2.379579 -2.425840 0.330743
C -3.396726 -0.195790 0.432112
C -3.510534 -1.624869 0.424560
C -4.626849 0.648434 0.527884
C -4.858681 -2.265853 0.515041
H 2.170646 1.006273 -0.048039
H 1.762100 2.588905 1.668688
H 0.382729 4.339291 0.774853
H -1.289406 2.541553 -1.030815
H 1.183817 4.095048 -2.035999
H -0.292972 5.036527 -1.545500
H 2.464694 -0.787054 -2.057777
H 2.576015 -2.562662 -1.849487
H 2.726204 -3.477797 0.605660
H 2.719247 -2.270107 1.926032
H -0.600196 1.098217 2.180940
H -1.288166 3.231743 2.204337
H -2.082287 1.519243 0.340051
H 4.860108 -1.788722 -2.441109
H 4.809971 -0.501272 -1.165052
H 4.961283 -1.381141 1.183150
H 5.097455 -3.186374 1.287675
H -2.440904 -3.513386 0.319734
H -0.295736 2.958304 -3.482846
H -5.201447 0.420741 1.436807
H -4.402276 1.724024 0.550083
H -5.292467 0.479320 -0.331343
H -5.372743 -1.987522 1.445887
H -5.502846 -1.960444 -0.322003
H -4.805828 -3.362597 0.493800


%chk=000276399-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276399

0 1
O 1.090940 1.863730 -1.052212
O -0.274975 1.734534 2.365700
O -1.536136 3.506244 0.763046
O 5.055930 -2.155190 -0.810294
O 0.610238 3.462938 -3.386534
N 0.302547 -0.134668 0.156550
N 2.340912 -1.496606 -0.071306
N 0.122543 -2.434815 0.303709
C 1.044017 1.119371 0.220887
C 0.557933 2.187152 1.264084
C -0.130137 3.337779 0.415657
C 0.003931 2.898031 -1.055386
C 0.958313 -1.404310 0.110127
C -1.081215 -0.422145 0.335839
C 0.456464 3.984875 -2.028535
C -1.153690 -1.848040 0.458870
C 2.908842 -1.049152 -1.384115
C 2.959290 -2.774141 0.380635
C -2.245985 0.375445 0.363935
C 4.431240 -0.896431 -1.246004
C 4.480685 -2.583170 0.477636
C -2.399990 -2.472950 0.666926
C -3.495425 -0.262285 0.572334
C -3.574088 -1.688979 0.731506
C -4.757754 0.582218 0.609390
C -4.919644 -2.357917 0.953592
H 2.085576 0.823146 0.424053
H 1.455895 2.596306 1.753041
H 0.411265 4.288126 0.597207
H -0.938521 2.436570 -1.406737
H 1.403729 4.435775 -1.660169
H -0.314727 4.770167 -2.097526
H 2.450688 -0.093380 -1.690024
H 2.681798 -1.808539 -2.164324
H 2.718639 -3.592759 -0.329679
H 2.536081 -3.047046 1.361701
H -0.909863 1.026105 2.063741
H -1.616782 3.310517 1.738378
H -2.222409 1.460118 0.210186
H 4.892350 -0.659464 -2.218678
H 4.663528 -0.088136 -0.517787
H 4.717058 -1.830430 1.260803
H 4.979597 -3.535814 0.719396
H -2.447325 -3.562152 0.765171
H 1.209929 2.674584 -3.338591
H -5.300850 0.463579 1.566991
H -4.526839 1.653151 0.480800
H -5.464782 0.291938 -0.191811
H -5.412337 -1.988048 1.873584
H -5.618028 -2.158972 0.117978
H -4.809954 -3.451361 1.047255


