%chk=000197330.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197330

0 1
O 4.621819 -1.897454 -1.722684
O 0.763077 -1.811320 0.791906
O 5.220582 -1.248514 1.869390
O -2.500770 0.411611 -1.843845
O 5.038344 0.483005 0.464672
O -5.054638 0.359537 -2.018837
O -7.428846 -0.430739 -0.979204
N 2.377811 -0.560527 -0.232866
N -1.345186 -0.493578 -0.110013
N 2.667164 2.733860 0.196597
N 3.841331 4.857975 0.591736
N 4.863067 3.052682 -0.616929
C -0.040510 -0.075075 -0.685705
C 0.149881 1.447505 -0.628660
C 0.413615 2.000549 0.775050
C 3.423393 -1.411828 0.370552
C 1.048027 -0.873020 0.057601
C 3.939140 -2.504376 -0.631090
C 1.378789 3.200977 0.741962
C -2.526921 -0.218671 -0.770406
C 2.812359 -3.404045 -1.108292
C 4.604424 -0.577931 0.841514
C -3.807830 -0.670169 -0.181356
C -4.987872 -0.338436 -0.862174
C -3.907175 -1.414659 1.018812
C -6.258505 -0.744014 -0.337881
C 3.702250 3.525198 0.081890
C -5.140099 -1.802548 1.515601
C -6.333562 -1.469255 0.840953
H -0.020411 -0.388564 -1.773249
H 0.979867 1.723644 -1.315666
H -0.749943 1.933419 -1.069366
H 0.833775 1.221853 1.441916
H -0.539074 2.309991 1.246939
H 2.989221 -1.963582 1.267609
H 2.654777 0.387444 -0.536514
H 4.757348 -3.085130 -0.134820
H -1.313727 -1.041935 0.756211
H 1.493445 3.603650 1.774415
H 0.944724 4.016359 0.120888
H 3.208136 -4.271792 -1.652348
H 2.201906 -3.780889 -0.273805
H 2.123395 -2.886732 -1.787030
H 4.001499 -1.428224 -2.319645
H -2.999727 -1.688938 1.557523
H 6.029361 -0.777974 2.212184
H -5.203573 -2.375759 2.440181
H -7.304543 -1.773899 1.231226
H -4.096729 0.618851 -2.368915
H 2.981779 5.387225 0.666893
H 4.572623 5.422523 0.172456
H 5.733875 3.200777 -0.109967
H 4.801069 2.055859 -0.860675
H -7.244134 0.084383 -1.817637


%chk=000197330-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197330

0 1
O 4.989991 -0.728591 -1.200627
O 0.601793 -2.076972 0.417977
O 4.296744 -1.814293 2.615031
O -2.756993 0.637775 -1.666737
O 4.664457 0.277380 1.700153
O -5.244344 0.495196 -1.679299
O -7.544140 -0.431733 -0.638283
N 2.228480 -0.440146 0.022599
N -1.426668 -0.497111 -0.139946
N 2.708449 2.320167 0.025547
N 3.941541 4.351315 -0.379115
N 5.019580 2.262228 -0.384924
C -0.149725 -0.089119 -0.760685
C 0.075449 1.433857 -0.820713
C 0.312990 2.140082 0.537834
C 3.257497 -1.389611 0.495304
C 0.938624 -0.926152 -0.035864
C 4.206935 -1.854311 -0.670473
C 1.511803 3.103887 0.420784
C -2.651082 -0.155619 -0.632880
C 3.427434 -2.579086 -1.778659
C 4.110644 -0.842924 1.628881
C -3.876707 -0.693136 0.013647
C -5.124393 -0.329721 -0.571399
C -3.884311 -1.541626 1.160955
C -6.349436 -0.813605 -0.027371
C 3.837531 2.965482 -0.233528
C -5.099319 -2.011651 1.689177
C -6.339925 -1.651852 1.096812
H -0.151646 -0.452075 -1.814065
H 0.962388 1.592674 -1.463748
H -0.787632 1.868477 -1.351077
H 0.530434 1.405353 1.336152
H -0.585542 2.699404 0.855582
H 2.731494 -2.284158 0.870832
H 2.455508 0.626314 -0.043100
H 4.972249 -2.524399 -0.239845
H -1.326672 -1.291204 0.506244
H 1.679651 3.631012 1.384853
H 1.247823 3.879990 -0.338142
H 4.125039 -2.896893 -2.571968
H 2.906608 -3.468236 -1.381825
H 2.667052 -1.912891 -2.225903
H 4.372883 -0.078738 -1.628682
H -2.946980 -1.828662 1.649966
H 4.916742 -1.466279 3.313392
H -5.094937 -2.661899 2.569582
H -7.290896 -2.012103 1.500107
H -4.257924 0.754208 -1.935644
H 3.104062 4.923395 -0.430675
H 4.839944 4.820120 -0.299994
H 5.822598 2.668591 -0.856512
H 5.105482 1.360756 0.096689
H -7.312528 0.156437 -1.409323


