%chk=000243471.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243471

0 1
S 1.758549 1.135207 0.541457
O -5.419304 1.756312 0.737652
O 1.463614 -3.451683 -0.659042
N -3.244915 0.898226 0.678455
N -1.360061 2.214939 0.851929
N -2.128863 -1.295449 0.224691
N 0.331601 -1.083827 0.201586
N -0.791866 -3.191293 -0.149231
C -4.693685 0.530990 0.659737
C -5.108251 -0.166799 -0.646140
C -5.733947 0.937978 -1.512612
C -5.876133 2.156253 -0.592011
C -2.154048 0.050176 0.476789
C -2.693245 2.209160 0.899793
C -0.973989 0.888979 0.591478
C 0.269091 0.245258 0.437949
C -0.850660 -1.800709 0.096838
C 3.044246 -0.138627 0.315059
C 4.298090 0.639401 0.105725
C 5.076583 1.035163 1.205857
C 4.709766 0.979928 -1.193433
C 0.381745 -3.946652 -0.477676
C 6.253401 1.761126 1.005474
C 5.887666 1.705542 -1.386617
C 6.661520 2.097112 -0.289221
C 0.085296 -5.418221 -0.580589
H -4.935789 -0.018594 1.599795
H -5.832889 -0.973420 -0.432618
H -4.256919 -0.660925 -1.154120
H -5.093256 1.168487 -2.383468
H -6.708712 0.620560 -1.921928
H -5.248393 3.009779 -0.892990
H -6.915950 2.478792 -0.423920
H -3.343994 3.054639 1.090812
H 2.793846 -0.812732 -0.535930
H 3.082609 -0.807833 1.197781
H -1.699576 -3.672298 -0.103132
H 4.762784 0.779132 2.216659
H 4.108612 0.680176 -2.050925
H 6.853076 2.066600 1.861273
H 6.202681 1.967525 -2.395315
H 7.578127 2.662540 -0.442544
H -0.309511 -5.836776 0.355284
H 1.014834 -5.968430 -0.807740
H -0.625181 -5.652011 -1.384573


%chk=000243471-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243471

0 1
S 1.551609 1.265019 2.151364
O -5.575906 1.439462 0.536590
O 2.009427 -3.023754 -0.426105
N -3.273304 0.808582 0.750314
N -1.660821 2.090417 1.777281
N -1.877984 -1.134187 0.090266
N 0.456161 -0.867091 0.789990
N -0.342596 -2.813727 -0.364676
C -4.631345 0.357697 0.311168
C -4.675887 0.056364 -1.200668
C -4.914105 1.462483 -1.808886
C -5.841592 2.132782 -0.771137
C -2.083456 0.085215 0.656558
C -2.959577 1.995641 1.442786
C -1.090434 0.899360 1.295009
C 0.221123 0.355421 1.339043
C -0.569805 -1.538643 0.199823
C 3.036548 0.061071 1.899936
C 3.941551 0.465235 0.761322
C 4.841610 1.555443 0.895109
C 3.916355 -0.266833 -0.454500
C 0.859105 -3.494210 -0.625800
C 5.696272 1.916186 -0.168739
C 4.774740 0.095431 -1.517834
C 5.664070 1.186337 -1.381169
C 0.649644 -4.906404 -1.176456
H -4.931094 -0.493178 0.945925
H -5.536863 -0.607292 -1.398508
H -3.758602 -0.437964 -1.553982
H -3.959564 2.009882 -1.896768
H -5.377418 1.412912 -2.807755
H -5.641725 3.208240 -0.627743
H -6.912017 1.983371 -1.000202
H -3.727149 2.728848 1.672198
H 2.576285 -0.925462 1.731897
H 3.539918 0.096979 2.879653
H -1.213804 -3.262779 -0.658163
H 4.867786 2.124634 1.833174
H 3.233629 -1.118432 -0.551908
H 6.386539 2.759947 -0.054370
H 4.752716 -0.479567 -2.450875
H 6.328554 1.464216 -2.207551
H 0.876534 -5.638388 -0.380250
H 1.367031 -5.078239 -1.994945
H -0.373559 -5.097322 -1.544120


