%chk=000296501.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296501

0 1
O 3.795892 2.247147 -1.282882
O -3.708583 1.983262 0.900381
O 6.631068 -2.057091 0.782149
O -5.930794 -2.661919 -1.154315
O 7.623360 -0.412343 -1.328998
O -7.278148 -1.244314 0.936912
O 0.238138 1.343228 2.477130
O -0.079750 1.257696 -2.826523
N 1.233949 1.152909 -0.988329
N -1.058911 1.086613 0.642915
C 1.416256 1.002375 0.408569
C -1.226371 0.874107 -0.748411
C 3.887389 0.458096 0.392890
C -3.640591 0.122879 -0.700958
C 2.594621 0.739013 1.014148
C -2.377839 0.490175 -1.340294
C 0.189960 1.161943 1.273174
C -0.016628 1.110434 -1.619377
C 4.466114 1.202460 -0.645224
C -4.279556 0.854541 0.310504
C 4.618396 -0.646745 0.891627
C -4.272941 -1.057788 -1.147315
C 5.853952 -0.991463 0.358789
C -5.475728 -1.493117 -0.588450
C 6.421222 -0.218939 -0.702358
C -6.094643 -0.730762 0.448633
C 5.719970 0.884860 -1.189647
C -5.497414 0.447068 0.883472
C 3.671312 3.459718 -0.492094
C -3.674078 3.161711 0.050911
C 6.072396 -2.927216 1.796736
C -7.145490 -3.249268 -0.624337
C 8.433660 -1.548771 -0.930441
C -7.911785 -0.533298 2.030896
H 2.602361 0.684509 2.116545
H -2.383521 0.392469 -2.440191
H 2.079510 1.316277 -1.570319
H -1.915028 1.198905 1.219991
H 4.182860 -1.233014 1.700158
H -3.817455 -1.661722 -1.936021
H 6.133915 1.488195 -1.998937
H -5.930607 1.066888 1.665524
H 4.666922 3.862985 -0.286798
H 3.107810 4.115792 -1.166586
H 3.118305 3.265105 0.430995
H -4.696286 3.472181 -0.181272
H -3.170705 3.893469 0.694131
H -3.098282 2.968004 -0.858629
H 6.868120 -3.675122 1.907408
H 5.920908 -2.376085 2.729381
H 5.147636 -3.389054 1.438474
H -7.015168 -3.495796 0.434267
H -7.988292 -2.565131 -0.770267
H -7.243849 -4.150182 -1.241112
H 8.717196 -1.455667 0.123510
H 7.888497 -2.480911 -1.111695
H 9.299215 -1.447841 -1.595325
H -7.248337 -0.501833 2.900375
H -8.211923 0.467967 1.708750
H -8.788107 -1.164690 2.225556


%chk=000296501-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296501

0 1
O 3.507749 0.480402 -2.169937
O -3.351988 -0.075633 1.821805
O 7.580847 0.115866 1.741994
O -7.314518 0.418937 -2.174961
O 8.202983 0.384386 -1.074693
O -8.114421 0.107061 0.537328
O 0.534682 -0.049564 2.514510
O -0.382623 0.441433 -2.869536
N 1.085942 0.294678 -1.087066
N -0.931997 0.097449 0.731165
C 1.464312 0.176706 0.259216
C -1.312134 0.216888 -0.615315
C 4.105166 0.210733 0.179748
C -3.953208 0.176560 -0.526380
C 2.757559 0.147492 0.748457
C -2.606476 0.245817 -1.100195
C 0.352284 0.067025 1.257565
C -0.199497 0.325769 -1.614083
C 4.513612 0.363404 -1.187321
C -4.362093 0.030372 0.840818
C 5.168847 0.112743 1.133666
C -5.022572 0.261153 -1.473343
C 6.534272 0.155619 0.799083
C -6.383705 0.225811 -1.137675
C 6.900291 0.276676 -0.576636
C -6.745250 0.099136 0.237090
C 5.875579 0.384942 -1.541823
C -5.723909 -0.008644 1.209991
C 3.880842 0.680406 -3.573933
C -3.705178 -0.211350 3.236499
C 7.209100 0.047018 3.157463
C -8.357363 -0.615260 -2.339387
C 9.269441 -0.471706 -0.512327
C -8.505732 0.067565 1.948995
H 2.744679 0.044609 1.842071
H -2.602332 0.349716 -2.193440
H 1.876212 0.376398 -1.756323
H -1.720755 0.017325 1.400714
H 4.878261 0.014025 2.184141
H -4.780415 0.374011 -2.535222
H 6.198088 0.484739 -2.580788
H -5.994212 -0.114224 2.262590
H 4.452799 -0.185003 -3.956907
H 2.923776 0.764848 -4.110604
H 4.467702 1.609350 -3.695595
H -4.281726 -1.138818 3.412727
H -2.740326 -0.265552 3.763310
H -4.275828 0.668487 3.588544
H 8.163397 0.048745 3.704579
H 6.605839 0.926016 3.455822
H 6.650714 -0.882019 3.383912
H -7.894660 -1.603142 -2.530922
H -9.007759 -0.667016 -1.450219
H -8.935188 -0.297167 -3.220444
H 9.469347 -0.216603 0.539161
H 8.987680 -1.538906 -0.591742
H 10.147300 -0.266867 -1.143792
H -8.185145 -0.876862 2.430483
H -8.090345 0.931931 2.501897
H -9.603852 0.124988 1.943057


