%chk=000247243.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247243

0 1
S 2.976169 1.331022 0.707437
O 3.820765 2.320068 0.077148
O 3.390119 0.713543 1.955774
N 1.509735 2.187872 1.216552
N 0.486702 2.128188 0.247328
N -3.838973 0.625289 -1.005199
N -1.170484 -2.011732 1.923277
N -0.378893 0.127266 1.243890
N -1.741801 1.486011 -0.267541
N -2.611986 -0.642387 0.596440
N 1.522933 -2.792570 -3.254774
C 2.544346 0.141789 -0.434597
C 2.717054 0.388290 -1.806331
C 2.018613 -1.090246 -0.014660
C -0.589445 1.221915 0.434776
C -2.722638 0.497476 -0.189943
C -1.410817 -0.808288 1.265189
C 1.830461 -1.804931 -2.319578
C 2.367874 -0.565166 -2.751817
C 1.658134 -2.063231 -0.936683
C -4.127199 1.941460 -1.625875
C -5.027230 -0.219525 -0.732934
C -0.019530 -2.081592 2.859122
C -2.327936 -2.868091 2.281095
H 1.194130 1.952877 2.182629
H 3.136842 1.348318 -2.134361
H 1.876488 -1.288006 1.061460
H 0.204094 3.083225 -0.044540
H 2.510667 -0.365366 -3.809048
H 1.244901 -3.008632 -0.598749
H -4.573063 2.655610 -0.914488
H -4.810037 1.804312 -2.479004
H -3.190604 2.394067 -2.011471
H -4.712262 -1.258674 -0.511114
H -5.671952 -0.245899 -1.625733
H -5.614400 0.142848 0.126772
H 0.898721 -1.700515 2.354193
H 0.163430 -3.127206 3.149144
H -0.167594 -1.474686 3.767582
H -1.977805 -3.895813 2.468268
H -3.049237 -2.903628 1.440626
H -2.866726 -2.502935 3.170610
H 1.457582 -2.549121 -4.228722
H 0.964053 -3.581205 -2.975352


%chk=000247243-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247243

0 1
S 3.017742 0.646413 0.976950
O 4.462866 1.358077 0.678642
O 2.896262 -0.527973 2.130654
N 1.470554 2.242965 1.365419
N 0.414657 2.124713 0.504039
N -3.702556 0.308281 -0.906138
N -1.402998 -1.522684 2.797849
N -0.502767 0.349289 1.700105
N -1.633681 1.249145 -0.266774
N -2.599378 -0.633606 0.956784
N 1.334005 -1.835741 -4.312926
C 2.455009 -0.100770 -0.653110
C 2.968524 0.438449 -1.848431
C 1.580113 -1.203083 -0.644775
C -0.630883 1.187296 0.643820
C -2.626022 0.303385 -0.047032
C -1.515222 -0.586575 1.801500
C 1.703483 -1.259603 -3.101526
C 2.592555 -0.141750 -3.072721
C 1.207701 -1.784750 -1.868781
C -3.807211 1.276656 -2.006359
C -4.806223 -0.649494 -0.759264
C -0.220298 -1.565111 3.680730
C -2.470473 -2.498493 3.057256
H 1.173801 1.733281 2.237887
H 3.678191 1.271821 -1.808627
H 1.225161 -1.612256 0.306964
H 0.428492 2.708596 -0.334732
H 2.993256 0.258794 -4.011474
H 0.534987 -2.650472 -1.877747
H -4.714844 1.899834 -1.886000
H -3.872710 0.748900 -2.977855
H -2.917879 1.921338 -1.998729
H -4.587474 -1.314471 0.087254
H -4.919178 -1.250612 -1.682632
H -5.758770 -0.116147 -0.572282
H 0.634343 -1.061681 3.203656
H 0.042925 -2.621253 3.871719
H -0.430618 -1.073511 4.650889
H -2.094405 -3.530274 2.917348
H -3.298606 -2.315801 2.358621
H -2.834337 -2.398850 4.098161
H 1.702661 -1.483826 -5.191734
H 0.722447 -2.646444 -4.339802


