%chk=000258525.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258525

0 1
S -0.981949 -0.983329 -0.006281
O 6.222682 -1.198837 -0.016770
N 4.000935 -0.602655 -0.010745
N 2.147683 -1.982409 -0.015806
N 0.366680 1.338768 0.004543
N 2.794644 1.604965 0.002808
N 5.762658 1.058453 -0.004058
N 7.116790 1.466442 -0.003489
C -6.158279 -0.469589 0.003171
C -4.853532 0.337872 0.006478
C -7.385214 0.451913 0.010930
C -3.625897 -0.587644 -0.000621
C -8.692280 -0.353474 0.006182
C -2.341583 0.229985 0.002119
C -9.917015 0.558481 0.014268
C 0.456778 -0.016170 -0.002936
C 1.722190 -0.636164 -0.007962
C 2.871288 0.241746 -0.004697
C 3.472841 -1.959611 -0.017460
C 1.518913 2.085998 0.007068
C 5.414985 -0.285954 -0.010846
H -6.190896 -1.131265 -0.884176
H -6.188350 -1.142651 0.882022
H -4.824813 1.010225 -0.873106
H -4.822648 0.999512 0.894082
H -7.356521 1.113277 0.898249
H -7.358061 1.126178 -0.866660
H -3.666502 -1.260272 0.881673
H -3.669109 -1.250187 -0.890394
H -8.722746 -1.027297 0.884827
H -8.724519 -1.014020 -0.882417
H -2.264431 0.886062 0.891165
H -2.266783 0.895676 -0.879955
H -9.938434 1.214312 -0.863532
H -9.937453 1.199943 0.902643
H -10.844756 -0.024737 0.010026
H 4.157734 -2.804661 -0.022924
H 1.396899 3.182666 0.013239
H 5.092132 1.845893 0.001128
H 7.603298 1.087586 -0.829848
H 7.605344 1.078575 0.817465


%chk=000258525-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258525

0 1
S -0.905087 -1.304525 -0.004824
O 6.425818 -1.050854 -0.021838
N 4.100863 -0.640558 -0.012949
N 2.341747 -2.123061 -0.017636
N 0.406396 1.122758 0.007089
N 2.824092 1.492758 0.003231
N 5.619774 1.161177 -0.004436
N 6.895989 1.783045 -0.003479
C -6.205724 -0.456099 0.004605
C -4.833963 0.256931 0.008220
C -7.402491 0.521371 0.009927
C -3.648427 -0.738258 0.001638
C -8.772589 -0.194939 0.006200
C -2.296855 -0.006074 0.005358
C -9.965413 0.785393 0.011000
C 0.546542 -0.240466 -0.001649
C 1.853099 -0.797985 -0.008299
C 2.930911 0.135276 -0.005326
C 3.674804 -1.989631 -0.020297
C 1.522303 1.909846 0.009100
C 5.490030 -0.209226 -0.013786
H -6.274114 -1.113657 -0.887070
H -6.273876 -1.123208 0.889167
H -4.764088 0.922854 -0.876599
H -4.763200 0.912233 0.900864
H -7.337367 1.179682 0.901564
H -7.337504 1.189107 -0.874681
H -3.720718 -1.400165 0.887445
H -3.721618 -1.389320 -0.892104
H -8.836660 -0.861953 0.890141
H -8.836515 -0.852941 -0.884484
H -2.155883 0.615533 0.903637
H -2.157542 0.627561 -0.884740
H -9.941338 1.443197 -0.878390
H -9.941795 1.434021 0.907116
H -10.931658 0.248360 0.007992
H 4.400635 -2.798643 -0.027070
H 1.354988 2.989939 0.016189
H 4.780393 1.770014 0.002271
H 7.421927 1.543401 -0.855410
H 7.426819 1.530706 0.841719


