%chk=000268044.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268044

0 1
O -1.327242 -1.499857 -0.088345
O -1.290548 0.687201 -0.655517
O 1.009503 -0.760658 1.984157
O 2.093559 -3.506807 0.057299
O 3.411450 -2.638888 3.149547
N 2.949832 0.292136 1.128837
N 3.514388 2.388279 0.340980
N 3.265145 -0.983302 -1.024232
N 4.025083 0.443020 -2.863118
N 4.392063 2.767099 -2.620058
C -3.951298 0.382044 1.040634
C -4.214934 -0.120610 -1.431751
C -4.652119 2.205759 -0.557040
C -6.250018 0.334541 -0.005745
C -3.423932 -0.478487 -0.142283
C -3.832228 1.883127 0.710716
C -5.434807 0.016705 1.267828
C -4.094796 1.384996 -1.739717
C -5.697349 -0.484175 -1.193867
C -6.134604 1.840904 -0.324235
C -1.939581 -0.277954 -0.335093
C 0.123823 -1.572128 -0.142935
C 0.583870 -1.953471 1.261388
C 1.782539 -2.945042 1.310470
C 2.972552 -2.134715 1.899955
C 2.431729 -0.689840 2.099430
C 3.257593 0.138120 -0.230031
C 3.101813 1.702690 1.405320
C 3.625427 1.448934 -0.699717
C 4.014270 1.576994 -2.065913
C 3.659439 -0.748170 -2.310992
H -3.362300 0.150283 1.955943
H -3.815106 -0.712208 -2.285262
H -4.567184 3.291111 -0.786684
H -7.317238 0.068994 0.162091
H -3.601725 -1.560290 0.096272
H -2.769827 2.155969 0.550192
H -4.183065 2.489778 1.562451
H -5.833849 0.586059 2.126017
H -5.536326 -1.049554 1.533432
H -4.636848 1.628724 -2.668850
H -3.034032 1.654679 -1.917325
H -5.806287 -1.565169 -1.000398
H -6.285279 -0.275247 -2.105267
H -6.549969 2.440316 0.504000
H -6.733834 2.090415 -1.216740
H 0.321439 -2.369531 -0.886459
H 0.547962 -0.604682 -0.479043
H -0.284511 -2.303218 1.867923
H 1.548846 -3.842278 1.930313
H 3.888377 -2.201238 1.265004
H 2.609087 -0.295983 3.132916
H 2.526544 -2.831840 -0.548311
H 2.663088 -2.766973 3.774270
H 2.894236 2.104502 2.388467
H 3.683756 -1.621861 -2.987014
H 4.353175 3.616822 -2.075765
H 4.632049 2.828778 -3.597942


%chk=000268044-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268044

0 1
O -1.357371 -2.330296 -0.217164
O -0.778415 -0.293880 -1.203814
O 0.288327 -1.223076 1.845736
O 2.779457 -3.171320 0.244939
O 2.736130 -1.830609 3.675869
N 1.809452 0.452689 0.885255
N 1.660725 2.493900 -0.176036
N 2.939998 -0.822031 -0.954659
N 3.381332 0.561960 -2.923251
N 2.758455 2.836357 -3.034998
C -3.358130 -0.100222 0.929798
C -3.768145 0.176005 -1.573293
C -3.481127 2.224594 -0.097724
C -5.579967 0.811981 0.098507
C -3.124368 -0.741924 -0.488409
C -2.786379 1.342650 0.976893
C -4.890042 -0.059767 1.183201
C -3.209514 1.624046 -1.503678
C -5.300175 0.210133 -1.307354
C -5.011517 2.256504 0.166462
C -1.652124 -1.039444 -0.701132
C 0.078692 -2.701786 -0.157962
C 0.545096 -2.599494 1.299313
C 2.084054 -2.878789 1.474877
C 2.616483 -1.607880 2.227899
C 1.556196 -0.500093 1.988082
C 2.383077 0.285189 -0.381217
C 1.386175 1.799858 0.935972
C 2.288880 1.553949 -1.011165
C 2.808622 1.668024 -2.332301
C 3.415471 -0.599483 -2.219682
H -2.862243 -0.729175 1.693285
H -3.571490 -0.249278 -2.576981
H -3.071978 3.253027 -0.050908
H -6.672988 0.831653 0.280180
H -3.640522 -1.721923 -0.490107
H -1.692924 1.330495 0.805650
H -2.958666 1.766803 1.986977
H -5.086205 0.363828 2.188912
H -5.306899 -1.087044 1.174048
H -3.707936 2.240516 -2.279012
H -2.126779 1.622237 -1.717064
H -5.726872 -0.811354 -1.376207
H -5.795512 0.824823 -2.085270
H -5.219644 2.697585 1.162496
H -5.512546 2.896964 -0.587197
H 0.149366 -3.743684 -0.505774
H 0.651268 -2.045141 -0.830593
H -0.074752 -3.261833 1.928849
H 2.249865 -3.754822 2.124590
H 3.632259 -1.339886 1.903539
H 1.458483 0.119640 2.895317
H 2.902568 -2.288216 -0.288237
H 1.870373 -2.172039 4.021215
H 0.889012 2.201953 1.816754
H 3.872608 -1.457393 -2.720513
H 2.321829 3.657950 -2.621157
H 3.132775 2.861373 -3.981553


