%chk=000193056.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193056

0 1
O 8.277496 0.731253 -0.552510
O 4.884301 1.972427 1.776565
O 6.848382 -0.243163 -1.981116
O 5.312804 -4.801709 -0.314113
O 7.153810 -4.279014 0.847871
O -7.236415 -0.816583 -2.522756
N 4.891452 0.422945 0.105890
N -2.060188 1.965918 -0.284470
N -5.262701 0.637219 -1.008843
N -5.260694 0.197237 1.797312
N -7.061072 -1.339621 1.547986
N -8.018889 -1.824317 -0.625236
N -8.985536 -2.754828 1.328702
C 6.254709 -0.033455 0.419528
C 6.306573 -1.491929 0.905954
C 5.730957 -2.501057 -0.088802
C 0.325900 2.552875 -0.370940
C -1.065831 2.968964 -0.782292
C 2.914810 1.821972 0.395182
C 4.292387 1.459521 0.845603
C 7.097331 0.112911 -0.853441
C -3.427181 2.240273 -0.827584
C 0.600480 2.237038 0.968829
C 1.354762 2.506702 -1.323747
C 1.892011 1.876252 1.353378
C 2.648240 2.144506 -0.941497
C -4.392724 1.268733 -0.195541
C 6.190364 -3.891104 0.232528
C -6.152526 -0.219414 -0.446408
C -6.151543 -0.441734 0.960320
C -4.391287 1.042609 1.218647
C -7.148960 -0.934832 -1.332007
C -8.004254 -1.978765 0.683584
H 6.688153 0.637911 1.229645
H 5.762173 -1.563417 1.872976
H 7.362569 -1.757057 1.149201
H 4.619133 -2.462425 -0.105782
H 6.038200 -2.260322 -1.138657
H 4.403163 -0.058273 -0.645177
H -1.305849 3.952830 -0.308871
H -1.123826 3.132947 -1.882244
H -3.490471 2.180001 -1.941201
H -3.726487 3.279962 -0.552174
H -1.764101 1.021481 -0.566716
H -0.203186 2.275293 1.707253
H 1.152976 2.756669 -2.364702
H 2.112610 1.646482 2.398231
H 3.447310 2.125889 -1.684071
H -3.665531 1.554367 1.870161
H 8.875098 0.845701 -1.343346
H -7.095698 -1.413950 2.566582
H 5.584540 -5.744899 -0.151307
H -8.704217 -3.312669 2.124125
H -9.618026 -3.251451 0.697999


%chk=000193056-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193056

0 1
O 8.836201 1.010465 0.772869
O 4.091307 -0.104622 2.208515
O 7.374783 1.833588 -0.832771
O 7.227400 -3.792650 -1.806070
O 7.372154 -4.018740 0.500657
O -8.365934 -0.171006 -2.163597
N 5.228861 0.625449 0.328238
N -2.227728 1.145232 -0.763706
N -5.830418 0.631017 -1.033620
N -5.538896 0.314862 1.788965
N -7.733752 -0.537833 1.892292
N -9.149709 -0.787032 -0.045580
N -9.927578 -1.403994 2.065056
C 6.531590 0.316284 0.928604
C 6.872577 -1.205441 0.916215
C 6.915420 -1.796457 -0.502867
C 0.241895 1.466727 -0.772709
C -1.095573 1.869762 -1.381969
C 2.767665 0.776863 0.364093
C 4.058613 0.397745 1.037648
C 7.581815 1.135786 0.187961
C -3.561353 1.566652 -1.242650
C 0.359544 1.188608 0.613758
C 1.400802 1.380387 -1.583605
C 1.604076 0.843499 1.172909
C 2.651765 1.044004 -1.024958
C -4.675266 0.978252 -0.394515
C 7.191383 -3.286956 -0.495841
C -6.852526 0.129632 -0.281011
C -6.685697 -0.020694 1.129892
C -4.537488 0.813525 1.015552
C -8.160753 -0.276315 -0.926880
C -8.930319 -0.900348 1.259387
H 6.521689 0.627999 1.992129
H 6.104182 -1.715347 1.520990
H 7.840884 -1.351469 1.425236
H 5.955469 -1.630610 -1.028604
H 7.691410 -1.316644 -1.131424
H 5.241464 1.183591 -0.530220
H -1.267418 2.952868 -1.207056
H -1.044118 1.740249 -2.490507
H -3.777534 1.309353 -2.303902
H -3.604762 2.673676 -1.175592
H -2.102425 0.125331 -0.827947
H -0.539643 1.239356 1.236027
H 1.323147 1.568550 -2.661290
H 1.707444 0.614986 2.238768
H 3.518102 0.958216 -1.691791
H -3.601856 1.084573 1.510779
H 9.500865 1.553409 0.268391
H -7.573109 -0.630789 2.899386
H 7.406622 -4.771700 -1.772957
H -9.837034 -1.522987 3.070532
H -10.792737 -1.665960 1.597294


