%chk=000220614.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220614

0 1
O -0.493394 3.511090 0.116180
O -7.769089 -1.063429 -0.090857
O -5.761147 -1.899523 -0.822418
N 6.533919 -1.282157 -0.029265
N -5.964045 0.220054 0.198770
C 5.361635 -0.532276 -0.031253
C 7.861102 -0.666442 -0.285439
C 6.530725 -2.743989 0.233589
C 4.107604 -1.138152 0.258163
C 5.388074 0.860912 -0.323662
C 8.191944 -0.641904 -1.777755
C 6.641136 -3.048445 1.727641
C 2.967727 0.998532 -0.039198
C 2.946396 -0.380541 0.249750
C 4.214569 1.597071 -0.322306
C 1.762237 1.815139 -0.052421
C 0.507196 1.368321 0.151334
C -2.010139 1.705778 0.125407
C -0.636698 2.299239 0.122926
C -4.616223 0.690294 0.148823
C -2.284319 0.449566 -0.431965
C -3.058461 2.460009 0.679897
C -3.579748 -0.065544 -0.425325
C -4.358263 1.962137 0.704517
C -6.401272 -1.015623 -0.298885
C -8.447001 -2.306029 -0.476219
C -8.161961 -3.389163 0.540293
H 7.879971 0.368826 0.129681
H 8.637397 -1.236550 0.273288
H 5.600459 -3.196940 -0.183431
H 7.376124 -3.211814 -0.319827
H 4.050656 -2.198137 0.489454
H 6.328504 1.355771 -0.550172
H 8.240244 -1.651040 -2.202900
H 7.431400 -0.094168 -2.350589
H 9.157173 -0.157246 -1.961021
H 5.822905 -2.584816 2.295259
H 7.576010 -2.667873 2.154938
H 6.604550 -4.127130 1.915308
H 1.993225 -0.864272 0.475483
H 4.256409 2.665116 -0.547595
H 1.917432 2.888246 -0.251704
H 0.287885 0.325066 0.362297
H -1.481803 -0.134608 -0.888036
H -2.840591 3.451558 1.090101
H -3.783558 -1.047331 -0.865229
H -5.156423 2.555579 1.142880
H -6.669480 0.837689 0.614542
H -8.122627 -2.578639 -1.496495
H -9.498192 -1.961598 -0.471361
H -8.776370 -4.279769 0.361518
H -8.358652 -3.047132 1.564710
H -7.107352 -3.704912 0.501275


%chk=000220614-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220614

0 1
O -0.489286 3.286172 0.026101
O -8.046568 -1.001546 -0.230873
O -6.022566 -2.215572 -0.185527
N 6.829200 -1.189974 -0.048317
N -6.114208 0.157562 -0.164853
C 5.601338 -0.526278 -0.033078
C 8.105118 -0.466399 0.134510
C 6.923431 -2.651385 -0.248781
C 4.358474 -1.247148 -0.096771
C 5.520288 0.904058 0.046665
C 8.689106 0.102497 -1.180190
C 6.807282 -3.465627 1.061324
C 3.043840 0.844829 -0.007307
C 3.129468 -0.578811 -0.087331
C 4.279820 1.554945 0.061296
C 1.792056 1.587526 0.006452
C 0.507396 1.094797 -0.045030
C -2.044448 1.450893 -0.065784
C -0.648540 2.014542 -0.024724
C -4.748782 0.537773 -0.133340
C -2.353437 0.064063 -0.087490
C -3.127469 2.373023 -0.078818
C -3.682842 -0.400148 -0.120372
C -4.456675 1.930958 -0.112675
C -6.644047 -1.124016 -0.189385
C -8.805652 -2.284506 -0.213922
C -9.027961 -2.771094 1.220750
H 7.966102 0.343393 0.874155
H 8.829245 -1.171628 0.584125
H 6.153353 -2.975113 -0.972454
H 7.899133 -2.861953 -0.725865
H 4.358058 -2.339915 -0.138513
H 6.429831 1.509579 0.081143
H 8.887269 -0.706676 -1.906267
H 7.990315 0.815176 -1.651096
H 9.642268 0.627687 -0.983963
H 5.835699 -3.291840 1.555580
H 7.603623 -3.180766 1.772532
H 6.903670 -4.547556 0.853995
H 2.210772 -1.174436 -0.135312
H 4.255257 2.650405 0.118538
H 1.869921 2.684116 0.064646
H 0.325555 0.017181 -0.104796
H -1.554396 -0.683589 -0.075418
H -2.883754 3.440183 -0.060211
H -3.905673 -1.468766 -0.135543
H -5.276985 2.660181 -0.123107
H -6.810024 0.907057 -0.174596
H -8.247537 -3.029683 -0.807761
H -9.752379 -2.030853 -0.717326
H -9.664517 -3.675571 1.213515
H -9.533114 -1.998409 1.825744
H -8.068231 -3.030537 1.698422


