%chk=000196851.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196851

0 1
O 1.575524 -1.371729 -0.748889
O 3.080886 1.582505 -2.122359
O -0.183462 -0.533855 2.528233
N 0.821891 2.495676 -0.084959
C 2.052547 0.847162 -1.416356
C 1.905681 1.470649 -0.014605
C 2.632771 -0.582114 -1.368701
C 0.116441 2.662144 1.224943
C -0.872727 3.834499 1.128467
C -1.023762 -1.141189 0.367356
C 1.923198 -2.207395 0.294547
C 1.059512 -2.192040 1.405776
C -2.135895 -0.114001 0.600721
C -0.070693 -1.217217 1.531484
C -2.825812 0.237015 -0.687940
C -1.669685 3.985319 2.420670
C 3.028097 -3.068954 0.225282
C 1.319478 -3.082981 2.457011
C 2.595958 2.403727 -3.200932
C 3.254332 -3.950627 1.282493
C 2.402206 -3.962631 2.394212
C -2.261561 1.197667 -1.543015
C -4.028488 -0.389246 -1.046191
C -2.898874 1.528027 -2.740246
C -4.661842 -0.054390 -2.246880
C -4.100065 0.903771 -3.095499
H 1.084714 0.859687 -1.965024
H 1.637702 0.673282 0.715397
H 2.883876 1.886007 0.309764
H 2.770875 -1.003103 -2.379006
H 3.576490 -0.634643 -0.805557
H 1.228299 3.391533 -0.377694
H 0.807963 2.809607 2.080794
H -0.445142 1.710368 1.433267
H -1.563073 3.669784 0.275145
H -0.335307 4.776141 0.905405
H -0.445939 -0.874678 -0.554877
H -1.447022 -2.141594 0.147961
H -2.853383 -0.491464 1.355283
H -1.690009 0.807065 1.063637
H -2.385099 4.812423 2.349481
H -1.019000 4.185356 3.279775
H -2.242010 3.078040 2.651004
H 3.679158 -3.062552 -0.644330
H 0.669397 -3.072743 3.335642
H 2.169065 1.780345 -3.991818
H 3.507884 2.905180 -3.547923
H 1.866314 3.131575 -2.833241
H 4.101745 -4.636411 1.241349
H 2.589231 -4.652700 3.214647
H -1.322443 1.685996 -1.265954
H -4.470883 -1.136052 -0.391029
H -2.460575 2.275235 -3.398792
H -5.595616 -0.542025 -2.520142
H -4.594769 1.163947 -4.027885


%chk=000196851-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196851

0 1
O 1.694201 -1.155382 0.027833
O 2.979368 1.935914 -1.561219
O -1.264482 -3.953619 1.252512
N 0.645809 3.004888 -0.205320
C 2.014225 1.061608 -0.863017
C 1.453849 1.882174 0.302912
C 2.744761 -0.211633 -0.398991
C 0.007764 3.828076 0.847008
C -0.763460 5.015010 0.238419
C -1.006732 -1.777397 0.211145
C 2.067382 -2.409372 0.532893
C 1.024516 -3.312720 0.921007
C -2.541009 -1.741308 0.139926
C -0.464956 -3.065121 0.823586
C -3.122024 -0.504694 -0.543185
C -1.426048 5.901927 1.313861
C 3.429629 -2.785442 0.664159
C 1.412450 -4.577598 1.445520
C 3.115862 1.641359 -2.991495
C 3.771497 -4.049498 1.184670
C 2.759683 -4.954251 1.581599
C -2.360477 0.658478 -0.826667
C -4.497692 -0.501969 -0.901913
C -2.951302 1.785151 -1.445415
C -5.093300 0.619704 -1.517410
C -4.319754 1.772812 -1.793862
H 1.184371 0.789075 -1.548917
H 0.813721 1.225091 0.922536
H 2.312057 2.207842 0.944210
H 3.331018 -0.652451 -1.229441
H 3.424217 0.019450 0.445252
H 1.217893 3.581090 -0.840561
H 0.748538 4.219309 1.591285
H -0.697467 3.183706 1.409739
H -1.530155 4.621107 -0.455538
H -0.067182 5.629046 -0.370480
H -0.607928 -0.928529 0.800627
H -0.554794 -1.644381 -0.791138
H -2.900447 -2.650955 -0.377547
H -2.949998 -1.823090 1.166621
H -1.973951 6.744128 0.854023
H -0.672427 6.325803 2.004108
H -2.147921 5.320734 1.917598
H 4.225565 -2.098433 0.364634
H 0.600315 -5.251062 1.739108
H 3.505479 0.618653 -3.174961
H 3.837256 2.375405 -3.383517
H 2.145624 1.755249 -3.516427
H 4.828159 -4.323717 1.279394
H 3.021288 -5.936433 1.987356
H -1.297205 0.710624 -0.571300
H -5.104612 -1.393228 -0.695882
H -2.328424 2.663560 -1.650062
H -6.156236 0.594278 -1.784649
H -4.778414 2.644429 -2.274726


