%chk=000279682.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279682

0 1
S -2.052042 1.759997 0.006555
O -2.125925 1.645571 1.441059
O -3.262696 1.648720 -0.782736
O 0.820482 1.391348 0.740410
N -1.290497 3.232970 -0.475388
N 1.307002 -0.467568 -0.533518
C -0.933231 0.506052 -0.655298
C -1.582565 -0.834894 -0.450765
C 0.459796 0.546272 -0.052912
C -1.956465 -1.608301 -1.559728
C -1.798749 -1.321137 0.848834
C -0.609872 3.969452 0.620159
C -2.146413 4.122694 -1.303983
C -2.538996 -2.864448 -1.366361
C -2.378805 -2.577821 1.032257
C 2.676907 -0.669504 -0.157221
C -2.746567 -3.352981 -0.073090
C 3.335840 -1.784755 -0.717660
C 3.357676 0.194644 0.715792
C 4.673167 -2.018862 -0.398121
C 4.696061 -0.060576 1.021263
C 5.358324 -1.161073 0.469207
H -0.828173 0.719697 -1.756605
H -1.817533 -1.228839 -2.570271
H -1.535076 -0.708801 1.718818
H 0.065262 3.281063 1.172906
H -1.296452 4.427715 1.349905
H 0.024906 4.762422 0.190902
H -2.887748 4.699060 -0.726437
H -2.698180 3.534517 -2.061755
H -1.500057 4.837318 -1.842492
H 0.907230 -1.184856 -1.147361
H -2.837544 -3.460183 -2.228157
H -2.550083 -2.950812 2.042213
H -3.201301 -4.331253 0.074471
H 2.815686 -2.461035 -1.390752
H 2.848109 1.056915 1.157439
H 5.186079 -2.878747 -0.828621
H 5.225864 0.608876 1.699631
H 6.400679 -1.350858 0.713609


%chk=000279682-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279682

0 1
S -1.625114 1.768009 0.530732
O -0.669815 1.956082 1.841984
O -3.140113 1.205056 0.745933
O 1.411663 1.727302 -0.705887
N -1.790068 3.374042 -0.569979
N 1.397321 -0.547599 -0.110809
C -0.692419 0.528786 -0.849390
C -1.411073 -0.780347 -0.850611
C 0.802265 0.625843 -0.536802
C -1.992361 -1.250308 -2.058292
C -1.535384 -1.570255 0.328071
C -0.630104 4.264630 -0.280284
C -3.109553 4.006870 -0.295099
C -2.647208 -2.499618 -2.100314
C -2.197654 -2.814347 0.285013
C 2.759401 -0.776614 0.237218
C -2.747233 -3.287038 -0.930057
C 3.119536 -2.106600 0.587849
C 3.741564 0.249798 0.249289
C 4.446794 -2.409588 0.948481
C 5.066986 -0.072208 0.612334
C 5.430674 -1.392650 0.962299
H -0.896324 1.148615 -1.736864
H -1.923596 -0.636998 -2.964366
H -1.162920 -1.186259 1.286180
H 0.308275 3.705817 -0.424782
H -0.652151 4.703709 0.738399
H -0.674597 5.082452 -1.024172
H -3.140115 4.595526 0.645951
H -3.889072 3.228053 -0.262091
H -3.317053 4.679582 -1.148277
H 0.781914 -1.366566 -0.059192
H -3.085456 -2.853585 -3.039531
H -2.303043 -3.405390 1.200993
H -3.264349 -4.252231 -0.959953
H 2.360167 -2.899318 0.578873
H 3.457502 1.268019 -0.020377
H 4.712374 -3.437390 1.218621
H 5.821560 0.722090 0.622341
H 6.462882 -1.627375 1.242765


