%chk=000179590.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179590

0 1
O -1.681317 1.122890 -0.885043
O -2.699585 1.733555 1.085323
O -3.475761 -0.926829 -1.016338
O 1.084748 -0.019746 3.985035
O -3.273092 -2.303940 1.844827
O 2.350432 -0.176543 1.328652
O 4.336435 0.178986 -0.531569
N -0.396608 0.632589 2.280191
C -0.863896 0.161461 1.142178
C -0.190673 -1.186817 0.787600
C -2.085552 0.704639 0.221781
C -1.076538 -2.451823 -3.035817
C -0.800169 -1.403356 -2.261616
C 0.509357 -1.580486 2.137947
C -1.285144 -2.231637 0.524094
C 0.816150 -0.923084 -0.331539
C -3.152753 -0.462378 0.302250
C 0.535703 -1.111317 -1.705215
C 0.549373 -0.330712 2.965464
C -2.646251 -1.740305 0.982720
C -0.739395 1.917676 2.915791
C 2.105244 -0.419449 -0.014413
C 1.537405 -0.927568 -2.677605
C 3.105391 -0.247448 -1.002862
C -2.863193 3.023907 0.472590
C 2.821377 -0.513509 -2.342606
C -4.239262 0.022742 -1.799610
C 3.329072 0.838993 1.683091
C 5.324612 0.564979 -1.519024
H -2.057743 -2.615706 -3.460715
H -0.363433 -3.219432 -3.296474
H -1.557611 -0.624459 -2.014726
H 1.530680 -2.000368 1.982315
H -0.041548 -2.380491 2.677769
H -1.042706 -3.200615 1.006805
H -1.380532 -2.512740 -0.551449
H -4.066369 -0.078564 0.812961
H -0.362219 2.762852 2.310730
H -0.309071 1.974601 3.931089
H -1.848009 2.035891 2.970753
H 1.290810 -1.100304 -3.727788
H -3.836061 3.036667 -0.027666
H -2.063399 3.211287 -0.258118
H -2.831504 3.729717 1.304577
H 3.575636 -0.396443 -3.116597
H -3.637411 0.929134 -1.965527
H -5.187076 0.248767 -1.307182
H -4.392616 -0.527233 -2.734068
H 3.094830 1.014265 2.740627
H 3.197991 1.737240 1.075930
H 4.335391 0.417808 1.558599
H 4.944832 1.375267 -2.147751
H 5.628093 -0.304212 -2.109802
H 6.148734 0.911404 -0.882370


%chk=000179590-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179590

0 1
O -1.653035 1.171419 -0.282210
O -3.082424 1.371448 1.770356
O -3.516585 -0.925176 -1.006892
O 1.069551 0.774732 3.719927
O -2.995403 -2.796563 1.712754
O 2.666651 -0.331797 1.375957
O 4.718847 -0.504238 -0.393297
N -0.229725 1.238074 1.804753
C -0.981993 0.459417 0.848555
C -0.182262 -0.870469 0.668636
C -2.489665 0.506265 0.828263
C -0.937206 -1.605325 -3.531487
C -0.629804 -0.921889 -2.393371
C 0.253586 -1.034624 2.172698
C -1.098177 -2.102413 0.321688
C 0.987121 -0.716168 -0.375115
C -3.303245 -0.745249 0.426710
C 0.730168 -0.832122 -1.795295
C 0.458204 0.390445 2.688333
C -2.498161 -1.982073 0.897084
C -0.313515 2.690205 1.968328
C 2.349682 -0.514271 0.022915
C 1.810687 -0.804180 -2.712292
C 3.421597 -0.572992 -0.928384
C -4.269931 2.115877 1.303247
C 3.148028 -0.702459 -2.301203
C -4.437090 0.056741 -1.592981
C 3.535603 0.803864 1.767569
C 5.838701 -0.621875 -1.330112
H -1.956164 -1.588377 -3.933094
H -0.205294 -2.217674 -4.072714
H -1.430709 -0.367862 -1.894711
H 1.152363 -1.642164 2.324500
H -0.583503 -1.496474 2.734405
H -0.627023 -3.019265 0.713782
H -1.209679 -2.216960 -0.771090
H -4.265410 -0.737771 0.980041
H -0.110097 3.192941 1.007712
H 0.450382 2.971138 2.712545
H -1.307630 2.996442 2.334411
H 1.582022 -0.836983 -3.781382
H -5.080483 1.430570 0.990368
H -3.995662 2.786172 0.468610
H -4.601465 2.705594 2.169883
H 3.951309 -0.711308 -3.042990
H -4.024212 1.081652 -1.528215
H -5.430336 0.013843 -1.100346
H -4.541667 -0.232066 -2.650044
H 3.263109 0.999689 2.815490
H 3.315430 1.691115 1.144120
H 4.594283 0.524466 1.663568
H 5.852106 0.217383 -2.052487
H 5.803072 -1.583617 -1.877336
H 6.740850 -0.585287 -0.701960


