%chk=000194047.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194047

0 1
O 2.160956 2.611802 2.502144
O 6.655244 -0.352670 1.772189
O 3.594402 -2.022519 -1.172844
O 5.424107 -1.878947 0.705654
O 2.262252 -3.747587 -0.636866
O -8.249648 0.444807 1.363736
O -8.523374 1.898489 -0.316886
N -1.848282 1.201903 0.463443
N 6.076511 -0.132291 -1.575045
N 0.192281 -2.713871 -2.394963
N -3.445361 1.018535 -1.134131
N -6.401774 0.066359 -1.407359
C 2.403582 1.752262 1.367597
C 1.666325 0.458644 1.753222
C 3.918735 1.560636 1.183094
C 0.382335 0.279090 0.986839
C 0.315370 -0.929427 0.099461
C 4.232715 0.919219 -0.168632
C 0.980128 -0.645021 -1.255161
C 5.684619 0.408818 -0.253910
C -0.597393 1.190809 1.146597
C 1.377201 -1.910851 -2.039985
C -3.050246 1.674767 1.025738
C -4.022149 1.550067 0.028422
C 5.871684 -0.750941 0.726159
C -5.458604 1.917732 0.097881
C -2.138963 0.811685 -0.860505
C 2.406611 -2.696089 -1.210554
C -6.369353 0.676410 -0.059102
C -7.807191 1.104019 0.239877
H 1.953996 2.241792 0.474152
H 2.329532 -0.422005 1.632008
H 1.452535 0.496212 2.850741
H 4.434052 2.537457 1.273367
H 4.325094 0.957621 2.021746
H 0.803111 -1.791530 0.607172
H -0.735292 -1.262654 -0.047073
H 3.524182 0.078353 -0.379474
H 4.062393 1.654057 -0.981061
H 1.896076 -0.028741 -1.106239
H 0.287272 -0.041674 -1.884938
H 6.401534 1.233011 0.024596
H -0.480020 2.022033 1.862102
H 1.878621 -1.594210 -2.999401
H 2.593015 3.479120 2.394040
H -3.128051 2.035830 2.031854
H -5.693513 2.662617 -0.698055
H -5.676084 2.432253 1.057563
H 5.377393 -0.783233 -1.937620
H 6.200608 0.610875 -2.255356
H -1.401592 0.419746 -1.551969
H 0.448680 -3.527990 -2.949550
H -0.295972 -3.053280 -1.569027
H -6.059726 -0.115945 0.679934
H -6.550693 0.774269 -2.125804
H -5.504423 -0.376448 -1.614961
H 6.833559 -1.083239 2.430118
H 4.296133 -2.467981 -0.566126
H -9.193537 0.656045 1.590553


%chk=000194047-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194047

0 1
O 1.723993 2.302418 2.434465
O 7.055412 -0.470897 1.866065
O 3.626273 -1.896931 -1.275444
O 5.538728 -1.609467 0.561644
O 2.503351 -3.637626 -0.215985
O -8.110409 1.311713 1.873078
O -8.933161 1.500074 -0.289458
N -1.971173 1.188446 0.257560
N 6.547733 0.668532 -1.278443
N 0.386268 -3.483045 -2.192889
N -3.730062 1.122308 -1.176418
N -6.614795 0.309704 -1.313965
C 2.318798 1.637549 1.250861
C 1.665926 0.243574 1.176896
C 3.860300 1.539133 1.375509
C 0.272535 0.145378 0.554410
C 0.041552 -1.118055 -0.262526
C 4.517844 1.253957 0.004126
C 0.753059 -1.072554 -1.656913
C 5.995728 0.806594 0.077246
C -0.646258 1.121647 0.796181
C 1.396651 -2.426139 -2.087766
C -3.092062 1.680473 0.955096
C -4.170513 1.627805 0.070579
C 6.125865 -0.527153 0.839051
C -5.603522 2.013716 0.311120
C -2.417111 0.870948 -1.029066
C 2.546099 -2.753317 -1.104181
C -6.584812 0.794515 0.066030
C -7.986423 1.220605 0.479209
H 2.066470 2.223455 0.338498
H 2.342230 -0.423969 0.612826
H 1.639576 -0.152697 2.213134
H 4.264122 2.487757 1.785344
H 4.101168 0.747600 2.112993
H 0.456129 -1.962045 0.327614
H -1.034498 -1.323219 -0.394497
H 3.947912 0.475967 -0.540027
H 4.498907 2.163316 -0.624676
H 1.546656 -0.302855 -1.656397
H 0.024177 -0.798525 -2.440814
H 6.589294 1.556217 0.628020
H -0.391597 1.947483 1.469524
H 1.852225 -2.268639 -3.082447
H 2.112027 3.209999 2.525430
H -3.025865 1.990895 1.994159
H -5.903893 2.827116 -0.377846
H -5.716748 2.377460 1.348557
H 6.019258 0.044955 -1.896666
H 7.562118 0.552028 -1.340377
H -1.752929 0.510699 -1.808856
H 0.710227 -4.308672 -2.707551
H 0.000665 -3.758909 -1.282276
H -6.267907 -0.009987 0.758622
H -7.360640 0.734044 -1.874604
H -5.686252 0.329756 -1.755658
H 7.149017 -1.364498 2.299891
H 4.344015 -1.980159 -0.555824
H -9.030075 1.619725 2.097236


