%chk=000253993.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253993

0 1
S 5.255650 0.001024 0.010027
O -4.174155 1.236194 0.062671
O -3.482060 -3.158427 0.735397
N 0.679442 1.965521 0.251125
N -2.130625 0.366914 -0.553277
N 2.943769 2.320745 0.028300
N 0.722125 -0.543503 0.403935
N 2.998378 -1.429672 0.293585
N -3.894991 -1.043097 0.363952
N -3.049080 -2.096631 0.409252
C -0.757965 2.259510 0.376172
C -1.570943 1.709862 -0.817438
C 1.281609 0.705393 0.282732
C 2.704890 0.945088 0.147364
C 1.743244 2.910435 0.087870
C 3.537170 -0.198828 0.162658
C -3.417397 0.283423 -0.025904
C 1.625859 -1.552650 0.405764
C -5.343377 -1.149143 0.701005
C 5.913136 -1.672318 0.078110
H -0.896201 3.362491 0.454434
H -1.136218 1.826854 1.336723
H -2.404644 2.419341 -1.053196
H -0.938907 1.639820 -1.734547
H 1.556086 3.974829 0.028786
H -1.448657 -0.397689 -0.433443
H 1.237748 -2.581145 0.504812
H -5.905915 -1.565443 -0.151186
H -5.763741 -0.154833 0.942292
H -5.483866 -1.813582 1.570719
H 5.525075 -2.300738 -0.735743
H 5.660777 -2.175731 1.022036
H 7.005281 -1.611414 -0.010385


%chk=000253993-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253993

0 1
S 5.167873 -0.217939 0.030688
O -4.369457 1.011786 -0.291832
O -2.781747 -3.131258 0.898712
N 0.728513 2.194585 0.170870
N -2.060424 0.603382 -0.168381
N 3.025187 2.352186 0.016923
N 0.523050 -0.277340 0.311803
N 2.689230 -1.400035 0.256734
N -3.611150 -1.119957 0.356535
N -2.496044 -1.935192 0.534384
C -0.676271 2.644286 0.320856
C -1.680300 1.944654 -0.625849
C 1.221068 0.888425 0.214609
C 2.643776 1.002713 0.119272
C 1.861293 3.022869 0.053177
C 3.368193 -0.220210 0.144726
C -3.377709 0.257741 -0.064669
C 1.323029 -1.380994 0.332032
C -4.980958 -1.620659 0.557606
C 5.505080 -2.068327 0.119127
H -0.680149 3.728093 0.108895
H -0.998699 2.495792 1.368018
H -2.602277 2.550241 -0.673196
H -1.251516 1.904526 -1.646966
H 1.770239 4.106448 -0.000560
H -1.281488 -0.060534 0.062196
H 0.820044 -2.347679 0.415021
H -5.165825 -2.484797 -0.103548
H -5.667813 -0.795800 0.322936
H -5.112315 -1.954725 1.601405
H 5.017940 -2.575143 -0.724808
H 5.120849 -2.470668 1.066150
H 6.600276 -2.163870 0.061733


