%chk=000206679.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206679

0 1
P 1.762464 2.253343 -0.188995
O 1.846108 2.357061 -1.671020
O -4.298365 -1.158306 -0.651865
N 3.087709 2.925731 0.765537
N 0.373613 3.195526 0.421895
N 1.240726 0.747711 0.593885
N 3.127735 0.222413 -0.489565
N 3.966318 -2.014424 -0.778680
C 4.518688 2.696462 0.409641
C 3.872895 4.036857 0.137158
C -0.329695 4.100658 -0.535699
C 0.455507 4.670916 0.626873
C 2.076198 -0.292610 0.255093
C 1.962352 -1.672390 0.560815
C 0.861908 -2.167034 1.448114
C 2.948826 -2.507537 -0.003595
C 4.031970 -0.664218 -1.000188
C -0.516682 -1.863661 0.919261
C 2.961696 -3.985983 0.199280
C 5.136387 -0.122764 -1.839915
C -0.838720 -2.142802 -0.424937
C -1.493342 -1.328182 1.764309
C -2.112059 -1.892277 -0.914591
C -2.786665 -1.065900 1.295788
C -3.082697 -1.351934 -0.041176
C -5.383025 -0.576772 0.138195
C -6.527314 -0.502190 -0.869969
C -7.788816 0.088292 -0.230155
C -8.937021 0.166707 -1.232919
H 5.179485 2.562850 1.273550
H 4.821509 2.048894 -0.427834
H 3.700158 4.362122 -0.895322
H 4.069752 4.889420 0.796091
H 0.020341 4.221842 -1.568926
H -1.423231 4.055296 -0.495592
H -0.065935 5.033592 1.520513
H 1.376210 5.234383 0.461862
H 0.373905 0.630419 1.130595
H 0.999085 -1.728546 2.462293
H 0.941333 -3.265813 1.603852
H 3.146368 -4.243319 1.252180
H 2.008565 -4.443460 -0.102788
H 3.757317 -4.471773 -0.393361
H 6.034424 -0.757837 -1.799370
H 4.817715 -0.070374 -2.896425
H 5.407090 0.905635 -1.538109
H -0.073161 -2.552502 -1.085770
H -1.258156 -1.110733 2.806083
H -2.379540 -2.094703 -1.949465
H -3.527538 -0.649595 1.968483
H -5.599625 -1.248821 0.984901
H -5.063435 0.415013 0.498797
H -6.212485 0.101370 -1.745750
H -6.730772 -1.513413 -1.277529
H -8.095602 -0.525485 0.640032
H -7.573601 1.099391 0.169250
H -8.681602 0.797659 -2.092531
H -9.837218 0.589599 -0.772335
H -9.202559 -0.823002 -1.622948


%chk=000206679-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206679

0 1
P 1.675796 2.383265 -0.144188
O 1.780490 2.696760 -1.715052
O -4.235058 -0.977624 -0.810492
N 2.862551 3.205849 0.920377
N 0.112943 2.843488 0.619744
N 1.575072 0.713662 0.409099
N 3.539815 0.055689 -0.675860
N 4.221993 -2.264031 -0.797184
C 4.345489 2.928865 0.709004
C 3.755737 4.241209 0.241246
C -1.010691 3.220653 -0.336936
C -0.332684 4.285742 0.501735
C 2.441342 -0.308487 0.051781
C 2.195559 -1.666450 0.443900
C 1.024946 -2.025764 1.347982
C 3.136815 -2.619189 -0.022796
C 4.384767 -0.938233 -1.079374
C -0.364899 -1.699676 0.788764
C 3.026367 -4.097956 0.293750
C 5.589146 -0.528965 -1.890996
C -0.716186 -2.039859 -0.546269
C -1.348101 -1.086071 1.599312
C -2.004242 -1.786379 -1.045814
C -2.650940 -0.821867 1.114645
C -2.981625 -1.178844 -0.215498
C -5.300659 -0.366899 0.007520
C -6.549959 -0.286953 -0.871968
C -7.746526 0.354307 -0.131540
C -9.008702 0.433363 -1.017068
H 4.911903 2.888810 1.644797
H 4.609961 2.184513 -0.050413
H 3.626166 4.376963 -0.839894
H 3.895807 5.151263 0.832531
H -0.777796 3.199037 -1.408925
H -1.987563 2.825950 -0.043219
H -0.817091 4.674583 1.402247
H 0.321395 4.993798 -0.022318
H 0.712542 0.495945 0.918600
H 1.144373 -1.507249 2.322199
H 1.072795 -3.105386 1.577839
H 3.154684 -4.293475 1.375255
H 2.045609 -4.513993 -0.002296
H 3.818706 -4.631741 -0.252058
H 6.108123 -1.422770 -2.267305
H 5.283986 0.114660 -2.733936
H 6.292675 0.058502 -1.271296
H 0.033278 -2.499238 -1.201574
H -1.102827 -0.809606 2.632961
H -2.279468 -2.045705 -2.072773
H -3.383310 -0.346270 1.773345
H -5.484343 -0.993097 0.906141
H -4.982351 0.644219 0.339939
H -6.311138 0.298109 -1.780796
H -6.817113 -1.307056 -1.208284
H -7.973929 -0.230212 0.783440
H -7.469963 1.373421 0.208188
H -8.820260 1.041097 -1.921728
H -9.854952 0.889906 -0.472375
H -9.322959 -0.573780 -1.349114


