%chk=000216118.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216118

0 1
O -1.321606 -1.813905 1.500873
O -1.392494 0.293480 2.327053
N -4.487996 -0.570228 0.277231
C 1.541908 -0.074287 0.767248
C 0.741471 -0.803594 1.865888
C 1.616357 0.386210 2.214983
C 0.815282 0.750981 -0.249541
C 2.719928 -0.786109 0.173677
C -0.738293 -0.645160 1.937732
C 1.004768 2.138483 -0.304757
C 2.589264 -2.097046 -0.305957
C -0.041992 0.123726 -1.166512
C 3.952970 -0.124399 0.080143
C -2.782806 -1.886276 1.471259
C -3.261491 -1.410379 0.094642
C 0.329678 2.894924 -1.267577
C 3.691691 -2.743434 -0.871739
C -0.714663 0.885260 -2.124761
C 5.050988 -0.776513 -0.487008
C -4.151916 0.829930 0.706350
C -5.244699 -0.405401 -1.010314
C -4.078092 1.712757 -0.558518
C -4.803616 0.923857 -1.664269
C -0.531206 2.271481 -2.175942
C 4.922727 -2.085842 -0.962223
H 1.069647 -1.815825 2.151351
H 2.526680 0.223340 2.789962
H 1.131720 1.321219 2.507705
H 1.674218 2.627313 0.400750
H 1.630281 -2.609601 -0.239408
H -0.177973 -0.957123 -1.128024
H 4.051015 0.896696 0.444559
H -2.954321 -2.962118 1.642742
H -3.200488 -1.295380 2.308012
H -3.513617 -2.287715 -0.538218
H -2.433628 -0.878173 -0.426229
H 0.475128 3.973352 -1.307924
H 3.590163 -3.761778 -1.243843
H -1.381664 0.398394 -2.834340
H 6.008168 -0.262601 -0.560160
H -3.215483 0.872702 1.301688
H -4.972527 1.162594 1.375462
H -6.320956 -0.368732 -0.735495
H -5.115693 -1.268042 -1.686149
H -3.028092 1.911543 -0.836729
H -4.545567 2.694296 -0.385041
H -5.671035 1.480060 -2.053287
H -4.137113 0.743150 -2.522538
H -1.055794 2.863253 -2.923557
H 5.779465 -2.591537 -1.403449


%chk=000216118-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216118

0 1
O -1.341621 -1.738791 1.758470
O -1.145605 0.560726 2.143026
N -4.642225 -0.672111 0.272425
C 1.697501 -0.088480 0.769410
C 0.849415 -0.834090 1.861830
C 1.830050 0.282066 2.244475
C 0.998908 0.857530 -0.191167
C 2.817437 -0.895405 0.133769
C -0.609705 -0.558454 1.950118
C 1.061247 2.262572 -0.031773
C 2.635538 -2.241350 -0.269662
C 0.294076 0.327777 -1.303788
C 4.067005 -0.270125 -0.112655
C -2.823946 -1.566047 1.683453
C -3.229250 -1.134214 0.260018
C 0.430350 3.122909 -0.958711
C 3.682069 -2.951244 -0.901613
C -0.341268 1.183471 -2.228488
C 5.113623 -0.976690 -0.743214
C -4.770760 0.766980 0.672422
C -5.304724 -0.717505 -1.063422
C -4.669178 1.619451 -0.647945
C -4.867135 0.586384 -1.804762
C -0.275369 2.587017 -2.059513
C 4.924432 -2.321375 -1.141280
H 1.133787 -1.870460 2.058362
H 2.741393 -0.015238 2.770773
H 1.364769 1.212045 2.585197
H 1.598501 2.686660 0.823830
H 1.674416 -2.736034 -0.085685
H 0.249561 -0.758509 -1.446718
H 4.213546 0.773843 0.189224
H -3.237413 -2.550308 1.947465
H -3.136167 -0.809122 2.422883
H -3.143605 -1.998710 -0.423108
H -2.515632 -0.354746 -0.093453
H 0.486119 4.208426 -0.819405
H 3.527703 -3.992650 -1.205988
H -0.881260 0.759141 -3.083049
H 6.074204 -0.481564 -0.925388
H -3.991186 1.034442 1.405410
H -5.758397 0.913880 1.147504
H -6.401209 -0.709949 -0.907360
H -5.044477 -1.646302 -1.599288
H -3.689271 2.121612 -0.725233
H -5.447198 2.403158 -0.665756
H -5.616241 0.916079 -2.546185
H -3.914658 0.418875 -2.340891
H -0.765774 3.253288 -2.778201
H 5.736320 -2.871058 -1.630563


