%chk=000188713.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188713

0 1
S 0.455277 -3.192996 0.189944
F 6.603338 -2.128257 0.273730
O -1.698346 0.639641 -0.420731
O 1.667780 1.165004 2.040662
N -1.834045 -1.629477 -0.081592
N 0.998757 0.832953 -0.108285
N -2.204215 -3.867818 -0.020974
N -3.409838 -3.251818 -0.133326
C 0.378013 -0.459014 0.219681
C 1.081501 -1.615942 -0.509060
C -1.123728 -0.377259 -0.138578
C 2.558190 -1.725560 -0.275314
C -1.242787 -2.933211 0.015948
C -3.249829 -1.910210 -0.186164
C 3.370876 -2.194808 -1.324264
C 3.136705 -1.398705 0.963292
C -4.321878 -0.923139 -0.327414
C 1.616657 1.594847 0.901800
C 4.747646 -2.336356 -1.148679
C 4.512417 -1.530663 1.160297
C -4.369388 0.216674 0.485546
C 2.175471 2.897914 0.434656
C -5.334503 -1.167975 -1.271160
C 5.288261 -1.999281 0.096562
C -5.429411 1.127461 0.351355
C -6.384901 -0.257362 -1.400588
C -6.435615 0.884784 -0.596935
C 1.704019 4.082028 1.016954
C 3.180963 2.932925 -0.540695
C -5.472973 2.342008 1.219657
C 2.234277 5.308834 0.607600
C 3.709262 4.163172 -0.940476
C 3.234338 5.349397 -0.369635
H 0.446922 -0.610008 1.350047
H 0.857315 -1.569138 -1.603850
H 0.871419 1.191003 -1.051098
H 2.927971 -2.458976 -2.286002
H 2.517092 -1.021696 1.786320
H 5.378286 -2.703313 -1.957899
H 4.961200 -1.273573 2.120696
H -3.581537 0.405760 1.213172
H -5.302597 -2.067384 -1.887498
H -7.172089 -0.441476 -2.131517
H -7.260558 1.586671 -0.707400
H 0.933534 4.043484 1.788911
H 3.558610 2.007380 -0.975861
H -4.570082 2.957047 1.089061
H -6.334785 2.987604 1.007004
H -5.529906 2.069955 2.283904
H 1.870361 6.233432 1.055064
H 4.494377 4.197771 -1.695120
H 3.647876 6.307665 -0.684850


%chk=000188713-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188713

0 1
S 0.433677 -3.353764 0.446915
F 6.825584 -2.010953 0.279619
O -1.548640 0.481282 -0.895180
O 1.670124 1.074512 2.083117
N -1.845600 -1.687337 -0.046585
N 1.003758 0.737769 -0.119878
N -2.269520 -3.916410 0.146131
N -3.511653 -3.222856 -0.044923
C 0.389568 -0.545407 0.198571
C 1.153251 -1.767311 -0.404053
C -1.076035 -0.513866 -0.299853
C 2.651189 -1.788981 -0.202845
C -1.305582 -2.992714 0.167093
C -3.258972 -1.905611 -0.185199
C 3.480285 -2.194554 -1.280717
C 3.246418 -1.465206 1.045268
C -4.333095 -0.915111 -0.364606
C 1.589999 1.506365 0.888008
C 4.881223 -2.271513 -1.132694
C 4.644337 -1.536546 1.212267
C -4.292214 0.384856 0.198793
C 2.106601 2.855905 0.484548
C -5.498007 -1.337424 -1.064125
C 5.429466 -1.938567 0.117540
C -5.382425 1.277754 0.062927
C -6.585519 -0.455414 -1.206036
C -6.528335 0.844290 -0.650629
C 2.322046 3.809874 1.512375
C 2.403861 3.200007 -0.860761
C -5.314846 2.666050 0.675794
C 2.803832 5.096808 1.198520
C 2.890535 4.487748 -1.172263
C 3.085277 5.440621 -0.145308
H 0.395218 -0.637478 1.305636
H 0.916265 -1.874927 -1.477867
H 0.693857 1.197636 -0.979861
H 3.029081 -2.457006 -2.244621
H 2.629128 -1.131607 1.884977
H 5.532563 -2.581614 -1.954346
H 5.118748 -1.282490 2.164019
H -3.409761 0.716786 0.755067
H -5.532564 -2.350082 -1.476544
H -7.479406 -0.778760 -1.750102
H -7.379191 1.525757 -0.768379
H 2.108293 3.516861 2.545355
H 2.299856 2.461532 -1.664281
H -4.460820 3.240677 0.271614
H -6.234614 3.241428 0.474963
H -5.183060 2.614651 1.772881
H 2.962051 5.830082 1.996496
H 3.127056 4.744500 -2.210372
H 3.462411 6.439756 -0.389569


