%chk=000196528.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196528

0 1
O 0.251301 -0.824115 -0.916299
O 1.532869 -1.156334 1.645759
O -3.718372 -2.259640 -0.148257
O 4.098721 -2.412899 1.240920
O -0.749242 -2.806908 -0.690021
O 6.012325 -1.040158 -0.103128
O -5.551147 -0.138848 0.255895
N 0.692511 2.657807 0.350785
C 0.809923 1.165307 0.418656
C -0.046997 0.605564 -0.754781
C 2.232037 0.657437 0.334901
C 1.507092 3.211473 -0.769814
C 2.992375 2.811501 -0.757774
C 3.238637 1.403186 -0.293061
C -1.531701 0.643217 -0.471912
C 2.532731 -0.613595 0.886721
C 1.043129 3.282802 1.660270
C -2.020722 -0.694672 -0.421871
C 4.527630 0.866969 -0.457826
C -0.889205 -1.615821 -0.663408
C -2.355779 1.724420 -0.274228
C 3.820067 -1.167271 0.717570
C 4.791059 -0.413474 0.026636
C -3.365038 -0.947819 -0.175387
C -3.728971 1.486798 -0.025830
C -4.226357 0.194348 0.022059
C 1.436617 -2.609244 1.699581
C -5.107453 -2.611322 0.094963
C -6.483424 0.948238 0.472914
H 0.354526 0.812747 1.386828
H 0.229919 1.052025 -1.733705
H 1.411281 4.317954 -0.764212
H 1.034631 2.863279 -1.717704
H 3.560895 3.497897 -0.092961
H 3.418369 2.960524 -1.771186
H 2.059920 3.054462 2.015953
H 0.326677 2.935293 2.423130
H 0.935967 4.375464 1.583499
H 5.301978 1.438313 -0.956148
H -1.965122 2.742364 -0.289526
H -4.381240 2.344096 0.128628
H 5.000412 -2.712329 0.934648
H 6.650602 -0.490203 -0.619324
H 1.276553 -2.998632 0.685570
H 0.546514 -2.746287 2.322728
H 2.331635 -3.034731 2.165896
H -5.417012 -2.256397 1.083399
H -5.061306 -3.706927 0.050735
H -5.743427 -2.199015 -0.695251
H -6.206966 1.515665 1.366295
H -7.423741 0.403541 0.628763
H -6.541981 1.583847 -0.415388


%chk=000196528-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196528

0 1
O 0.188436 -0.904280 -0.983634
O 1.569894 -1.222929 1.614313
O -3.836543 -2.286173 -0.236038
O 4.276531 -2.324858 1.461639
O -1.003034 -2.903665 -0.921722
O 6.189015 -0.992674 0.176540
O -5.645451 -0.072577 0.384608
N 0.741345 2.640578 0.202021
C 0.850050 1.160893 0.338226
C -0.072622 0.545093 -0.773561
C 2.295103 0.646750 0.287455
C 1.562343 3.161691 -0.922711
C 3.071557 2.844774 -0.784910
C 3.326946 1.417937 -0.307058
C -1.552356 0.610563 -0.448912
C 2.597673 -0.612547 0.889461
C 0.962060 3.354993 1.480123
C -2.090983 -0.697611 -0.462076
C 4.642852 0.894896 -0.381195
C -1.016199 -1.667117 -0.796556
C -2.358546 1.718046 -0.156970
C 3.919208 -1.118851 0.834787
C 4.916560 -0.365054 0.168635
C -3.459500 -0.955654 -0.184926
C -3.725511 1.485445 0.125176
C -4.283865 0.183434 0.114033
C 1.394456 -2.693857 1.517816
C -5.211760 -2.762896 0.006276
C -6.505611 1.072365 0.683389
H 0.414695 0.870591 1.309922
H 0.159103 1.029837 -1.739499
H 1.402740 4.253682 -0.990691
H 1.183242 2.724394 -1.864914
H 3.530401 3.547040 -0.058248
H 3.577706 3.026265 -1.753202
H 1.969663 3.189976 1.927647
H 0.208151 3.023612 2.216139
H 0.829713 4.440346 1.317520
H 5.439628 1.484116 -0.853543
H -1.930474 2.723130 -0.137436
H -4.368020 2.340470 0.356279
H 5.244336 -2.478469 1.292807
H 6.867150 -0.450009 -0.290281
H 1.223804 -2.982826 0.467010
H 0.490581 -2.901411 2.110552
H 2.269432 -3.218427 1.931069
H -5.544717 -2.517394 1.027566
H -5.130793 -3.852650 -0.124659
H -5.916561 -2.334929 -0.724700
H -6.170743 1.602030 1.596533
H -7.504170 0.642169 0.850937
H -6.543216 1.781640 -0.166333


