%chk=000202841.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202841

0 1
O 0.072078 -2.168725 0.427107
N -3.040141 -0.425301 -0.087644
N -4.819528 1.470221 -1.390635
C 2.166378 -1.107663 0.570495
C 1.309769 0.918341 -0.866493
C 1.059644 -1.576486 -0.436233
C 0.515905 -0.367090 -1.235960
C 1.576792 0.016844 1.402440
C 3.247498 -0.487433 -0.295137
C 1.123621 1.119350 0.627747
C 2.783052 0.606877 -1.075752
C -1.067838 -2.769547 -0.239031
C 1.455143 0.032991 2.784698
C 4.570295 -0.897165 -0.372730
C 0.562763 2.228909 1.243056
C 3.649006 1.278004 -1.926591
C -2.245334 -2.640009 0.747071
C -2.484867 -1.153284 1.100385
C 0.884753 1.159552 3.404051
C 5.444427 -0.212087 -1.236081
C 0.446646 2.243066 2.644739
C 4.989950 0.859565 -2.002303
C -4.497794 -0.726615 -0.278702
C -2.860801 1.056054 0.079701
C -1.973712 -3.444849 2.020614
C -5.006477 -0.010868 -1.545755
C -3.364923 1.777987 -1.185448
C -5.337339 2.187569 -2.594108
H 2.516813 -1.957189 1.187073
H 0.966384 1.784583 -1.463058
H 1.450882 -2.364224 -1.111522
H -0.561426 -0.220843 -1.006291
H 0.584171 -0.552250 -2.319430
H -1.293002 -2.247577 -1.184738
H -0.800172 -3.820368 -0.436599
H 1.789217 -0.810092 3.384353
H 4.934000 -1.730703 0.223162
H -3.154278 -3.052699 0.241082
H 0.222139 3.080384 0.660102
H 3.306078 2.117185 -2.526349
H -3.128232 -1.071304 1.999905
H -1.497521 -0.701443 1.369743
H 0.788286 1.180440 4.487861
H 6.484738 -0.525283 -1.300837
H 0.011568 3.111095 3.135754
H 5.675519 1.383149 -2.666068
H -5.117730 -0.425097 0.594014
H -4.613418 -1.824662 -0.402527
H -1.776654 1.264416 0.219242
H -3.389723 1.455435 0.972603
H -1.862130 -4.512140 1.804130
H -1.037379 -3.112788 2.492852
H -2.777735 -3.335951 2.754071
H -4.489385 -0.421041 -2.439968
H -6.091934 -0.210451 -1.668870
H -3.261067 2.874907 -1.046696
H -2.735363 1.491458 -2.055349
H -4.844376 1.925770 -3.541570
H -5.231708 3.272835 -2.435901
H -6.415233 1.982836 -2.695572


%chk=000202841-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202841

0 1
O -0.056290 -2.015286 0.539577
N -3.157221 -0.523965 0.121439
N -4.672445 1.443296 -1.381918
C 2.138759 -0.985562 0.568725
C 1.327347 0.964356 -0.983150
C 0.985577 -1.505874 -0.360162
C 0.486925 -0.336015 -1.277115
C 1.576642 0.204739 1.342338
C 3.229766 -0.469202 -0.366557
C 1.146966 1.267370 0.502143
C 2.793553 0.593943 -1.204782
C -1.147504 -2.719050 -0.152346
C 1.449063 0.308914 2.739197
C 4.550706 -0.946721 -0.453403
C 0.593085 2.435472 1.059480
C 3.681304 1.180515 -2.125863
C -2.333256 -2.828230 0.822841
C -2.813090 -1.418088 1.255197
C 0.899382 1.487160 3.303633
C 5.446693 -0.355291 -1.379460
C 0.473838 2.546584 2.467962
C 5.014026 0.703603 -2.211098
C -4.433180 -0.880751 -0.545958
C -3.175690 0.906579 0.522875
C -1.979270 -3.671771 2.069405
C -4.665477 0.015107 -1.774210
C -3.406126 1.804037 -0.703143
C -4.982260 2.337206 -2.512457
H 2.482326 -1.799062 1.228568
H 0.998865 1.799272 -1.626160
H 1.376185 -2.342441 -0.979070
H -0.580337 -0.141332 -1.060880
H 0.586907 -0.600594 -2.344850
H -1.465902 -2.146026 -1.045424
H -0.800460 -3.728887 -0.466519
H 1.768428 -0.517243 3.384815
H 4.885960 -1.766150 0.193383
H -3.148067 -3.344740 0.272197
H 0.262716 3.255284 0.409856
H 3.346963 2.002463 -2.770084
H -3.674565 -1.532901 1.962221
H -1.985394 -0.943324 1.812441
H 0.803863 1.578889 4.391596
H 6.478837 -0.716958 -1.448948
H 0.053555 3.456551 2.911451
H 5.712971 1.158996 -2.921937
H -5.300652 -0.768339 0.153251
H -4.394196 -1.936291 -0.871726
H -2.203806 1.155843 0.986338
H -3.982900 1.110140 1.270801
H -1.690316 -4.700323 1.783979
H -1.129793 -3.217146 2.608566
H -2.839097 -3.738663 2.761977
H -3.864584 -0.198326 -2.530051
H -5.642079 -0.231335 -2.232529
H -3.464925 2.861190 -0.381678
H -2.527129 1.701128 -1.393847
H -4.221656 2.293006 -3.334183
H -5.038870 3.381785 -2.156307
H -5.964376 2.069054 -2.942330


