%chk=000218372.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218372

0 1
O -2.805793 -1.532062 -1.968261
O 1.004134 0.920229 -0.237688
O 5.619151 -0.405247 1.478398
O 3.263499 1.857551 2.768401
N -3.233785 0.579026 0.807674
N -3.717738 -0.023419 -0.408442
N -0.187708 -1.015158 -0.549819
N 3.525897 0.139562 0.628151
N 5.459990 1.561395 3.383586
C -1.798950 0.386607 0.802879
C -1.448375 -0.465705 -0.219991
C -2.652340 -0.808398 -1.014539
C -5.106804 -0.412169 -0.467057
C -3.706155 1.985525 0.968487
C -0.952004 0.986842 1.842915
C -5.623276 -0.744574 -1.734867
C -5.930457 -0.432504 0.671041
C 0.974742 -0.245507 -0.622040
C 2.189850 -0.966462 -1.103880
C 3.440460 -0.779098 -0.462473
C -6.972665 -1.076228 -1.852526
C -7.280914 -0.760453 0.527483
C -7.806325 -1.078080 -0.728059
C 2.117513 -1.806867 -2.226343
C 4.570205 -1.491514 -0.912434
C 3.242559 -2.490947 -2.680083
C 4.464803 -2.338929 -2.010971
C 4.591132 0.245143 1.513322
C 4.345375 1.314210 2.620801
C 5.425077 2.537614 4.489506
H -3.277256 2.685555 0.231858
H -3.443233 2.325135 1.984493
H -4.806085 2.026101 0.869909
H -0.150777 1.610144 1.376703
H -1.488009 1.614577 2.564647
H -0.413590 0.211222 2.415494
H -0.216020 -1.970010 -0.913806
H -4.967839 -0.759829 -2.609206
H -5.523946 -0.215331 1.657545
H -7.377883 -1.336513 -2.830420
H -7.925350 -0.774773 1.405912
H -8.858607 -1.333001 -0.831119
H 1.170307 -1.918537 -2.759809
H 5.532243 -1.376036 -0.398506
H 3.174223 -3.140111 -3.551263
H 2.715393 0.799130 0.752650
H 5.344852 -2.884000 -2.357654
H 6.331438 1.052380 3.231112
H 4.430494 3.024896 4.553226
H 5.621012 2.041138 5.455296
H 6.179333 3.327381 4.330865


%chk=000218372-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218372

0 1
O -2.531896 -1.606850 -1.757769
O 1.220755 0.785221 0.671532
O 5.977987 -0.518406 1.359637
O 3.608404 1.603657 3.053732
N -3.424660 0.942875 0.560251
N -3.786377 -0.052599 -0.404934
N -0.237561 -0.425428 -0.674550
N 3.713254 -0.018355 0.831802
N 5.845304 1.058461 3.542367
C -2.004257 1.039802 0.571131
C -1.496896 0.073187 -0.292987
C -2.611488 -0.635463 -0.936391
C -5.098838 -0.617733 -0.431621
C -4.250134 2.176401 0.546604
C -1.367469 2.101759 1.419212
C -5.571136 -1.189398 -1.639780
C -5.906188 -0.632580 0.734641
C 1.031933 -0.080293 -0.259321
C 2.173532 -0.783262 -0.933718
C 3.493510 -0.755627 -0.354925
C -6.857377 -1.767308 -1.673464
C -7.197935 -1.197779 0.678691
C -7.680642 -1.765812 -0.523033
C 1.989384 -1.479207 -2.160180
C 4.551706 -1.466757 -0.988438
C 3.044111 -2.165768 -2.788566
C 4.324419 -2.164893 -2.187916
C 4.863663 0.063830 1.577160
C 4.694388 0.994593 2.802782
C 5.969309 1.863251 4.757245
H -4.103593 2.756242 -0.385983
H -3.963157 2.792896 1.411297
H -5.313332 1.910469 0.642505
H -1.511484 3.110356 0.984868
H -1.799550 2.105086 2.436690
H -0.286815 1.908551 1.482939
H -0.353308 -1.208840 -1.333832
H -4.926434 -1.195682 -2.521786
H -5.508486 -0.239532 1.676134
H -7.218389 -2.215351 -2.605502
H -7.819598 -1.209209 1.580716
H -8.681387 -2.209036 -0.560067
H 1.014774 -1.466534 -2.661055
H 5.538806 -1.453543 -0.522655
H 2.871268 -2.688522 -3.734421
H 2.891271 0.549606 1.154997
H 5.154353 -2.700587 -2.661336
H 6.627984 0.497644 3.185644
H 5.003545 2.364184 4.933563
H 6.209892 1.230367 5.631304
H 6.756635 2.631818 4.647883


