%chk=000197775.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197775

0 1
O -0.024923 0.503133 -1.192487
O -1.406306 2.287578 -0.731242
O -4.409624 1.311179 -1.001384
O -5.795670 0.327249 0.652558
O 4.929966 1.644293 1.565476
O 6.064345 0.225862 0.036580
N -0.300868 -2.289272 -0.503275
C -0.347751 -1.194478 0.530984
C 0.427121 0.098167 0.128729
C -1.806702 -0.762533 0.656285
C 1.930328 0.036450 0.065031
C 1.086937 -2.774483 -0.795481
C -2.302569 0.203457 -0.271095
C 1.815677 -1.751234 -1.682333
C 2.603738 -0.805542 -0.828416
C -1.385230 0.933607 -1.220679
C -2.625727 -1.320097 1.634138
C -1.147278 -3.453260 -0.092840
C -3.652743 0.475582 -0.195285
C 2.639767 0.915777 0.928475
C 4.021882 -0.814132 -0.918002
C -4.489698 -0.126713 0.795860
C 4.009927 0.893382 0.838308
C -4.003370 -1.008100 1.730982
C 4.694108 0.041366 -0.078823
C -5.777628 1.260440 -0.475582
C 6.250120 1.247983 1.072906
C -0.644448 3.218187 -1.527481
H 0.048626 -1.536018 1.522028
H 0.116882 0.911248 0.840533
H 1.005496 -3.733077 -1.355819
H 1.677772 -2.994025 0.119279
H 1.062933 -1.174437 -2.280138
H 2.449791 -2.270509 -2.422979
H -1.654623 0.871541 -2.293154
H -2.211048 -2.027444 2.351879
H -0.934447 -3.854114 0.907596
H -1.028668 -4.267027 -0.826498
H -2.209354 -3.156562 -0.139029
H 2.122830 1.578214 1.618825
H 4.541609 -1.463478 -1.615901
H -4.633086 -1.446875 2.499237
H -6.423431 0.852131 -1.263714
H -6.028519 2.258912 -0.093054
H 6.797045 0.785641 1.904750
H 6.712498 2.124364 0.600230
H -1.135629 3.369887 -2.492220
H 0.382730 2.857215 -1.652386
H -0.671588 4.131164 -0.922372


%chk=000197775-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197775

0 1
O -0.051634 0.427774 -1.284525
O -1.429636 2.322852 -0.738241
O -4.403193 1.431947 -0.913382
O -5.817705 0.429397 0.740944
O 4.877005 1.819672 1.572490
O 6.136648 0.338758 0.153888
N -0.269876 -2.409560 -0.543412
C -0.359021 -1.297849 0.452739
C 0.434225 -0.011637 0.057024
C -1.816911 -0.845553 0.611663
C 1.950570 -0.020690 0.043867
C 1.105187 -2.902409 -0.816508
C -2.312469 0.174083 -0.260712
C 1.976336 -1.926100 -1.644370
C 2.695770 -0.897005 -0.793588
C -1.414947 0.936155 -1.220714
C -2.656521 -1.411571 1.598691
C -1.172901 -3.541985 -0.240383
C -3.661915 0.515374 -0.124566
C 2.614583 0.930946 0.872185
C 4.117788 -0.834596 -0.812499
C -4.496594 -0.077423 0.845229
C 4.008329 0.964819 0.842425
C -4.020406 -1.038158 1.738341
C 4.746018 0.100715 0.012483
C -5.719865 1.546707 -0.236344
C 6.252162 1.417873 1.173954
C -0.823954 3.256516 -1.700401
H 0.025104 -1.626824 1.455153
H 0.121554 0.755653 0.794961
H 0.986103 -3.831642 -1.403686
H 1.646317 -3.181807 0.124218
H 1.310217 -1.429880 -2.373772
H 2.721439 -2.515724 -2.209820
H -1.772013 0.898499 -2.269635
H -2.240668 -2.165784 2.275469
H -0.948148 -4.048485 0.733741
H -1.077621 -4.295557 -1.042015
H -2.221097 -3.207880 -0.213806
H 2.047456 1.620069 1.504499
H 4.700335 -1.502644 -1.452920
H -4.666233 -1.481563 2.499803
H -6.518915 1.439617 -0.985730
H -5.761662 2.507721 0.310504
H 6.781499 1.019144 2.057436
H 6.763605 2.284607 0.721488
H -1.394032 3.264800 -2.652301
H 0.229945 2.989769 -1.902716
H -0.879057 4.249460 -1.228148


