%chk=000217740.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217740

0 1
O 1.573634 -0.980368 -1.557870
O -1.143955 -0.411631 -0.912233
O 4.682754 0.595656 -2.227924
N 4.504115 1.890952 0.358160
N -4.589075 0.357324 -0.263676
C 3.540457 0.431959 -1.369967
C 3.956734 0.525233 0.112783
C 3.459533 2.925910 0.643088
C 3.009276 -0.955309 -1.770308
C -0.253137 -1.085632 -0.071108
C 1.104018 -1.377728 -0.329146
C -0.891189 -1.472199 1.137181
C 4.151815 4.295232 0.626387
C 2.727468 2.702620 1.975751
C -2.366535 -0.387337 -0.191914
C -2.253944 -1.004344 1.025882
C 1.809756 -2.065716 0.655415
C -0.157303 -2.163076 2.118059
C -3.470137 0.282994 -0.904958
C 1.175367 -2.448622 1.860158
C -5.804535 1.001364 -0.815737
C -3.152100 0.805432 -2.275289
C -6.407910 0.156604 -1.948284
C -6.793637 1.152685 0.347633
H 2.797650 1.221708 -1.631867
H 3.091835 0.264360 0.762763
H 4.753408 -0.221359 0.321940
H 2.710036 2.886438 -0.191762
H 5.185821 1.855290 1.122639
H 3.515092 -1.793046 -1.269327
H 3.075053 -1.091592 -2.871300
H 3.418747 5.105755 0.693902
H 4.854313 4.416174 1.457504
H 4.720253 4.436550 -0.302199
H 2.207260 1.738063 1.996545
H 1.970069 3.476851 2.142580
H 3.408333 2.731140 2.832002
H -3.028713 -1.123920 1.763106
H 2.852132 -2.332349 0.498882
H -0.635469 -2.462078 3.046394
H 5.230518 1.351808 -1.901517
H 1.765430 -2.989430 2.600819
H -5.557242 2.023081 -1.214562
H -3.006369 1.894905 -2.254690
H -2.227387 0.371598 -2.691000
H -3.959417 0.587204 -2.990867
H -7.347904 0.589926 -2.305269
H -5.726428 0.078192 -2.804421
H -6.626815 -0.864428 -1.609660
H -7.717577 1.639606 0.024157
H -6.358508 1.745619 1.161648
H -7.054688 0.177230 0.778275


%chk=000217740-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217740

0 1
O 1.474576 -0.609417 -1.489438
O -1.331034 -0.407046 -0.955987
O 4.941036 0.714985 -1.713728
N 4.662533 1.819919 0.686880
N -4.926385 -0.084408 -0.436465
C 3.571067 0.690437 -1.203105
C 3.638829 0.793501 0.347971
C 4.230147 3.251416 0.664184
C 2.931890 -0.599915 -1.738995
C -0.446211 -1.178774 -0.185196
C 0.946021 -1.300460 -0.396645
C -1.148050 -1.839639 0.864418
C 5.483714 4.148434 0.702909
C 3.246397 3.611835 1.807430
C -2.621079 -0.594477 -0.368976
C -2.534937 -1.448290 0.722482
C 1.640925 -2.135816 0.511323
C -0.431181 -2.676523 1.763260
C -3.752459 0.112952 -0.993304
C 0.954715 -2.807594 1.565940
C -6.149056 0.560505 -0.972293
C -3.453068 0.994800 -2.207390
C -7.012190 -0.536999 -1.644745
C -6.900069 1.214324 0.209448
H 2.992577 1.550256 -1.607005
H 2.633592 0.997754 0.770182
H 3.989497 -0.171487 0.757993
H 3.717500 3.407560 -0.304969
H 5.164034 1.601079 1.558133
H 3.434998 -1.495072 -1.331344
H 3.029958 -0.612658 -2.836465
H 5.204135 5.216007 0.654698
H 6.048381 3.991346 1.642869
H 6.153620 3.919454 -0.143802
H 2.360852 2.950965 1.808751
H 2.887708 4.652455 1.703474
H 3.746174 3.521768 2.791366
H -3.381668 -1.746457 1.335174
H 2.718865 -2.288426 0.409869
H -0.939698 -3.199994 2.577984
H 5.424332 1.241310 -0.993686
H 1.539858 -3.445730 2.237408
H -5.928723 1.345163 -1.729997
H -3.677372 2.054705 -1.985203
H -2.394225 0.918839 -2.493860
H -4.073615 0.698284 -3.072107
H -7.972262 -0.112484 -1.991506
H -6.490963 -0.981349 -2.511798
H -7.221792 -1.344322 -0.920669
H -7.841652 1.677752 -0.138826
H -6.281323 1.993707 0.688690
H -7.138018 0.451128 0.971467


