%chk=000180829.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180829

0 1
S 5.356878 -1.070438 -1.037367
F 5.265436 -0.572230 1.569889
F 7.192131 -0.740507 0.748334
F 4.872776 1.892804 0.303985
F 6.644574 1.923739 1.442400
F -5.322243 -1.867446 -1.601796
F -4.714272 1.142517 1.940887
O 5.809317 -0.170669 -2.125769
O -1.041249 1.229934 -1.872631
O -2.854708 -1.437183 0.711155
N -0.567964 -0.547769 -0.423448
N -2.806122 0.308072 -0.779332
C 1.541046 -1.650523 0.136315
C 3.618384 -0.846577 -0.824410
C 0.850292 -0.629052 -0.581479
C 2.928092 -1.742687 -0.003631
C 2.942583 0.145155 -1.530684
C 1.556182 0.256201 -1.411777
C 5.986273 -0.186956 0.502961
C 0.823445 -2.612653 1.025136
C 6.109399 1.340085 0.343269
C -1.387023 0.377073 -1.078668
C -4.936485 -0.375368 0.166492
C -3.462840 -0.585435 0.092376
C -5.827427 -1.061909 -0.674188
C -5.518276 0.468152 1.126634
C -7.214541 -0.926511 -0.584744
C -6.898949 0.636038 1.254336
C -7.741009 -0.072606 0.390607
H 3.463968 -2.524499 0.539553
H 3.490351 0.835732 -2.183142
H 1.029654 1.041215 -1.969535
H 1.503538 -3.334405 1.499336
H 0.301507 -2.098220 1.847562
H 0.078798 -3.206032 0.472348
H -1.009585 -1.226533 0.235317
H 6.685874 1.645395 -0.568194
H -3.360612 1.016041 -1.287824
H -7.875373 -1.477204 -1.256398
H -7.314079 1.301134 2.013631
H -8.824842 0.042827 0.478497


%chk=000180829-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180829

0 1
S 5.445804 -1.320488 -0.881340
F 5.298845 -0.285069 1.789871
F 7.400503 -0.548215 0.941634
F 4.819756 1.890210 0.203706
F 6.969610 2.149829 0.981195
F -5.239797 -0.133874 -2.251661
F -4.755586 -0.467012 2.571577
O 5.911490 -0.439180 -2.220136
O -1.066919 0.929114 -2.384346
O -2.745874 -1.209321 0.841448
N -0.576292 -0.491204 -0.544977
N -2.796453 0.207399 -1.013691
C 1.454827 -1.472842 0.348303
C 3.593597 -1.005845 -0.726445
C 0.830318 -0.640592 -0.640328
C 2.853181 -1.652206 0.280898
C 2.993082 -0.196268 -1.701531
C 1.598702 -0.010824 -1.657254
C 6.096255 -0.096692 0.649210
C 0.643362 -2.145803 1.440255
C 6.136076 1.353345 0.143477
C -1.396765 0.245331 -1.377362
C -4.900132 -0.343281 0.147605
C -3.408181 -0.490703 0.024107
C -5.787638 -0.210794 -0.951204
C -5.536582 -0.393117 1.418735
C -7.182965 -0.157592 -0.842182
C -6.929702 -0.337266 1.588760
C -7.753130 -0.225511 0.448132
H 3.346215 -2.285520 1.026781
H 3.612230 0.269455 -2.476593
H 1.095758 0.612441 -2.398454
H 1.294719 -2.738256 2.102603
H 0.111363 -1.410038 2.073878
H -0.122749 -2.831072 1.028569
H -1.079757 -0.980316 0.221279
H 6.500310 1.401208 -0.898474
H -3.376181 0.728550 -1.678754
H -7.793391 -0.067171 -1.743891
H -7.345082 -0.376165 2.598797
H -8.839929 -0.185944 0.563809


