%chk=000258129.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258129

0 1
O 2.737689 1.972070 0.737039
O 6.535516 -0.539998 -0.382836
O 4.711613 -0.145302 -1.666629
N 0.851963 0.693240 0.426131
N 2.534161 -1.616835 0.663333
N -1.065566 -0.730847 0.209164
N -0.773050 -3.176857 0.342136
N -2.908237 -2.276502 0.030883
C 0.289553 -0.591274 0.378891
C 3.057952 -0.423867 0.691315
C 2.279487 0.861501 0.618435
C 1.153486 -1.726911 0.525795
C 0.004759 1.874898 0.264984
C 4.544843 -0.260490 0.791317
C 0.541460 -3.017501 0.497841
C -0.714094 2.053365 -0.926440
C -0.058049 2.812536 1.306388
C -1.562453 -2.011137 0.195384
C -1.513406 3.190646 -1.065770
C -0.859858 3.945336 1.144018
C 5.190138 -0.298100 -0.571844
C -1.587306 4.134440 -0.035730
C -3.988903 -1.348975 -0.152007
C -5.253459 -1.933633 -0.393195
C -3.851092 0.044818 -0.094862
C -6.363768 -1.111471 -0.574304
C -4.979868 0.849204 -0.279659
C -6.233155 0.281491 -0.518764
C 7.362026 -0.587297 -1.576755
H 4.988936 -1.052894 1.442846
H 4.805146 0.709099 1.287015
H 1.160786 -3.922948 0.606412
H -0.658608 1.313613 -1.725029
H 0.521368 2.670210 2.217838
H -3.163219 -3.276725 0.028803
H -2.077124 3.342074 -1.985896
H -0.913992 4.684889 1.942490
H -2.208379 5.020788 -0.154411
H -5.370584 -3.014148 -0.440440
H -2.880922 0.519185 0.091487
H -7.340277 -1.558624 -0.760791
H -4.872054 1.933587 -0.233552
H -7.104707 0.916685 -0.660901
H 8.354294 -0.809244 -1.170267
H 7.332466 0.383982 -2.080509
H 7.003487 -1.380175 -2.240952


%chk=000258129-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258129

0 1
O 2.909265 1.654330 0.602861
O 6.522766 -0.012630 -0.277877
O 4.634518 -0.312547 -1.609428
N 0.892632 0.447420 0.372915
N 2.418986 -1.944606 0.745354
N -1.107126 -0.836816 0.232287
N -1.013473 -3.285615 0.458622
N -3.042748 -2.233268 0.131872
C 0.242080 -0.792558 0.390140
C 3.023366 -0.763189 0.723849
C 2.317003 0.539768 0.566959
C 1.036089 -1.971087 0.590264
C 0.141813 1.679528 0.149880
C 4.523884 -0.693375 0.845858
C 0.322661 -3.203953 0.611315
C -0.450640 1.915648 -1.109040
C 0.044911 2.628451 1.189015
C -1.681220 -2.074451 0.274818
C -1.164264 3.114935 -1.323025
C -0.666432 3.827682 0.966254
C 5.179043 -0.321644 -0.484877
C -1.274193 4.071995 -0.286996
C -4.089662 -1.294342 -0.062671
C -5.406340 -1.824414 -0.171575
C -3.887361 0.109476 -0.149370
C -6.505034 -0.964781 -0.363429
C -5.000401 0.955730 -0.341411
C -6.309892 0.434286 -0.449738
C 7.288179 0.354930 -1.495064
H 4.905263 -1.680215 1.160650
H 4.833419 0.056478 1.594410
H 0.879029 -4.135770 0.755904
H -0.354561 1.172089 -1.905916
H 0.527137 2.435195 2.151852
H -3.314109 -3.219797 0.185499
H -1.626412 3.302515 -2.298076
H -0.741784 4.569262 1.768516
H -1.822989 5.004642 -0.457785
H -5.565723 -2.908488 -0.104908
H -2.877335 0.512185 -0.064493
H -7.512485 -1.387230 -0.445055
H -4.834517 2.037206 -0.404789
H -7.164142 1.103188 -0.598009
H 8.311886 0.533745 -1.138251
H 6.859900 1.263675 -1.949730
H 7.258013 -0.467680 -2.229179


