%chk=000270437.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270437

0 1
O 6.589131 -2.580725 0.598291
O 2.834895 -2.246707 -1.471661
O -4.550650 1.150719 1.303195
O 5.952042 -0.862922 1.891875
O 6.683036 3.619732 -0.392732
O 7.927203 2.119509 -1.494079
O -3.331519 1.155176 -0.628764
N 3.736359 -0.726825 -0.034525
N -2.541145 0.076743 1.306499
C 5.115495 -1.039418 -0.439108
C 5.823869 0.134430 -1.136915
C 5.899433 1.407192 -0.292084
C 2.645623 -1.408823 -0.609578
C 1.314532 -0.995904 -0.084608
C 5.891675 -1.427948 0.825147
C -1.236150 -0.272013 0.827670
C 1.047596 -0.950713 1.289536
C 0.297337 -0.689511 -1.003310
C -0.216087 -0.587644 1.751388
C -0.967399 -0.321940 -0.556389
C 6.952104 2.336359 -0.816073
C -2.918229 -0.271011 2.702694
C -3.449869 0.819352 0.532105
C -5.657247 1.808331 0.596768
C -6.549459 0.768425 -0.015687
C -6.224805 0.219879 -1.265654
C -7.705781 0.345176 0.654566
C -7.057766 -0.741042 -1.843182
C -8.537578 -0.615051 0.070994
C -8.215471 -1.157684 -1.177058
H 5.095529 -1.928511 -1.149229
H 6.849572 -0.185475 -1.436639
H 5.298111 0.347857 -2.093414
H 6.133865 1.173690 0.777932
H 4.916249 1.927257 -0.257402
H 3.609924 0.026406 0.636311
H 1.827278 -1.207367 2.009902
H 0.500845 -0.748234 -2.076480
H -0.393129 -0.545357 2.823782
H -1.746801 -0.071933 -1.286362
H -2.512863 0.462643 3.419469
H -2.555369 -1.280554 2.960569
H -4.021837 -0.279609 2.811872
H -6.125050 2.365316 1.430626
H -5.243514 2.513671 -0.150255
H 7.123849 -2.878922 1.385651
H -5.313315 0.541331 -1.778706
H -7.957902 0.759410 1.629196
H 7.365683 4.276762 -0.695888
H -6.803956 -1.166295 -2.813287
H -9.436829 -0.941570 0.590660
H -8.864716 -1.905459 -1.629832


%chk=000270437-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270437

0 1
O 7.105514 -2.503638 0.304890
O 2.978921 -0.780983 -2.101249
O -4.705513 1.291170 1.130027
O 5.455369 -2.099913 1.886921
O 7.193568 3.127275 0.473157
O 7.197920 2.393883 -1.730033
O -3.539813 1.155027 -0.893563
N 3.806315 -0.951659 0.052170
N -2.542316 0.482639 1.156932
C 5.137864 -1.321271 -0.437708
C 5.946972 -0.111804 -1.002978
C 6.180908 0.989325 0.044450
C 2.771444 -0.718670 -0.844063
C 1.421808 -0.393953 -0.273160
C 5.874004 -2.001332 0.709309
C -1.228742 0.212258 0.640672
C 1.156757 -0.192085 1.104538
C 0.338711 -0.274492 -1.181040
C -0.142499 0.104352 1.556349
C -0.963255 0.021625 -0.747371
C 6.895165 2.193984 -0.534642
C -2.774188 0.282744 2.609508
C -3.576260 0.978164 0.352484
C -5.918885 1.726968 0.346974
C -6.774346 0.550257 -0.066567
C -6.539149 -0.112298 -1.300184
C -7.827006 0.099604 0.770024
C -7.340721 -1.209369 -1.684087
C -8.630150 -0.997524 0.386177
C -8.387845 -1.654263 -0.842795
H 5.027847 -2.041956 -1.272476
H 6.908658 -0.486137 -1.394262
H 5.376504 0.287877 -1.857652
H 6.772340 0.631446 0.909440
H 5.216278 1.338445 0.462649
H 3.644623 -1.056234 1.057061
H 1.953573 -0.238997 1.856328
H 0.548728 -0.425333 -2.244931
H -0.296205 0.269990 2.625175
H -1.772470 0.119443 -1.470110
H -2.348535 1.111293 3.205819
H -2.312282 -0.668115 2.923206
H -3.853516 0.242516 2.795520
H -6.437902 2.383325 1.062877
H -5.563335 2.303638 -0.523347
H 7.561689 -2.938861 1.075250
H -5.720686 0.232506 -1.941707
H -8.017398 0.608898 1.723020
H 7.645599 3.914599 0.063970
H -7.152629 -1.714285 -2.638088
H -9.442811 -1.336390 1.038368
H -9.011823 -2.503491 -1.143457


