%chk=000229278.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229278

0 1
O 6.347560 1.409738 -0.630994
O 3.388885 -2.079111 -0.353218
N -0.932663 -0.122985 -0.129065
N 4.442344 -0.316358 0.608304
C 1.926221 -0.346135 0.502424
C 0.917717 -1.443589 0.883356
C 1.415418 0.407478 -0.738404
C -0.479836 -0.847548 1.103876
C 0.014942 0.986093 -0.479004
C 3.276232 -0.985678 0.178533
C -2.326747 0.405360 0.036407
C 4.487443 1.130191 0.932686
C 5.762148 -0.839922 0.158421
C -3.325175 -0.749751 -0.175012
C 5.058477 1.929132 -0.253079
C 6.315917 0.011340 -0.994176
C -4.735963 -0.231611 -0.164748
C -5.450012 -0.146520 1.040605
C -5.346590 0.178724 -1.360144
C -6.759909 0.340138 1.047170
C -6.656526 0.664469 -1.348091
C -7.366173 0.746533 -0.145666
H 2.026056 0.366545 1.358299
H 1.250278 -1.980963 1.789879
H 0.881958 -2.205403 0.072324
H 1.366265 -0.293885 -1.600543
H 2.109732 1.215343 -1.027406
H -1.202598 -1.672610 1.293810
H -0.482243 -0.201785 2.008356
H 0.065557 1.775716 0.300831
H -0.357722 1.468705 -1.409891
H -2.502940 0.886441 1.021825
H -2.513305 1.186050 -0.734120
H 5.148658 1.257672 1.822912
H 3.482941 1.505291 1.222686
H 5.652642 -1.906052 -0.156184
H 6.454673 -0.819516 1.028688
H -3.184424 -1.529045 0.600520
H -3.093763 -1.262983 -1.133491
H 4.389603 1.910522 -1.130500
H 5.297331 2.972622 0.020303
H 7.381603 -0.197676 -1.196774
H 5.724852 -0.106015 -1.918922
H -4.984959 -0.461664 1.971896
H -4.799337 0.116277 -2.298796
H -7.310116 0.401786 1.984533
H -7.126211 0.978918 -2.278624
H -8.386143 1.123619 -0.138690


%chk=000229278-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229278

0 1
O 6.588204 1.502502 -0.467660
O 3.419651 -2.220561 -0.253298
N -0.951222 -0.171283 -0.110978
N 4.446884 -0.236985 0.371536
C 1.936374 -0.421829 0.509574
C 0.915119 -1.532253 0.850781
C 1.404360 0.395804 -0.704151
C -0.490456 -0.941129 1.071444
C -0.012189 0.933104 -0.422175
C 3.312268 -1.031554 0.189513
C -2.347920 0.308601 0.012947
C 4.492250 1.166590 0.830137
C 5.784254 -0.792464 0.056022
C -3.397912 -0.828556 -0.116311
C 5.242795 2.032288 -0.207559
C 6.501433 0.112530 -0.961091
C -4.813702 -0.271935 -0.134649
C -5.524706 -0.047874 1.072995
C -5.436680 0.083645 -1.359306
C -6.820676 0.515941 1.059578
C -6.732558 0.646877 -1.379002
C -7.429412 0.866532 -0.167863
H 2.011387 0.256883 1.384600
H 1.234052 -2.076989 1.759299
H 0.894919 -2.262141 0.023955
H 1.370174 -0.267494 -1.588530
H 2.077389 1.243006 -0.942265
H -1.201313 -1.764779 1.260313
H -0.486009 -0.291125 1.989406
H 0.038439 1.677292 0.419602
H -0.389006 1.471289 -1.312081
H -2.519437 0.856823 0.975928
H -2.528894 1.035152 -0.802327
H 5.034635 1.216441 1.796699
H 3.477361 1.564776 0.981544
H 5.637586 -1.810547 -0.341962
H 6.382229 -0.850646 0.987707
H -3.286248 -1.539584 0.723718
H -3.177432 -1.382417 -1.047216
H 4.659604 2.069484 -1.154614
H 5.397196 3.056335 0.171310
H 7.545055 -0.207431 -1.112767
H 5.961166 0.093959 -1.931790
H -5.061429 -0.325128 2.028528
H -4.903299 -0.090242 -2.302518
H -7.356393 0.677730 2.002120
H -7.200019 0.909159 -2.335128
H -8.435777 1.300097 -0.180911


