%chk=000269584.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269584

0 1
S -4.724194 0.750915 0.472165
O -4.963243 1.990318 -0.236672
O -5.730425 -0.290072 0.525625
N 1.603682 -1.280164 -0.456403
N 3.005830 -1.337506 1.364414
N 2.441149 0.841464 -1.508202
N 4.290691 1.836456 -0.246267
N -4.425314 1.194825 2.106225
N 5.152545 0.900334 1.745830
C 0.503600 -1.638813 -1.365176
C -0.805902 -1.042078 -0.894877
C 2.416685 -0.148423 -0.553674
C 3.296244 -0.206801 0.585466
C -1.024591 0.336628 -1.023231
C -1.798722 -1.867173 -0.347872
C -3.225274 0.067404 -0.050799
C 1.995402 -1.958047 0.744915
C -2.235879 0.889012 -0.600342
C -3.008939 -1.308269 0.071676
C 4.258670 0.842515 0.711216
C 3.396518 1.782074 -1.285195
H 0.444449 -2.749052 -1.448918
H 0.746248 -1.257846 -2.393701
H -0.246458 0.977386 -1.450418
H -1.636738 -2.938850 -0.248537
H 1.508667 -2.867052 1.068564
H -2.410460 1.965542 -0.712324
H -3.791166 -1.954171 0.487631
H 3.468460 2.604097 -2.019084
H -4.396491 2.184969 2.339093
H -4.922769 0.694854 2.839578
H 5.820418 1.652685 1.809534
H 5.150208 0.189742 2.461461


%chk=000269584-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269584

0 1
S -4.866799 0.802756 0.454611
O -5.036476 2.220335 -0.329334
O -5.976033 -0.390261 0.412039
N 1.673534 -1.288686 -0.392115
N 3.181988 -1.381825 1.339386
N 2.411843 0.831757 -1.460053
N 4.331132 1.831000 -0.287183
N -4.618413 1.208654 2.231980
N 5.308099 0.869900 1.637766
C 0.550144 -1.640057 -1.286077
C -0.783647 -1.043177 -0.844419
C 2.481083 -0.152645 -0.515997
C 3.406781 -0.231438 0.558982
C -0.995006 0.357088 -0.948605
C -1.818789 -1.876188 -0.354120
C -3.213457 0.062239 -0.053861
C 2.137285 -1.981249 0.738904
C -2.222496 0.925578 -0.549102
C -3.055914 -1.327166 0.051293
C 4.362018 0.824300 0.650991
C 3.380559 1.779172 -1.269797
H 0.487927 -2.740766 -1.338508
H 0.821196 -1.261435 -2.287783
H -0.194711 0.991911 -1.346767
H -1.666364 -2.960075 -0.290714
H 1.679300 -2.911169 1.070523
H -2.417611 1.998390 -0.644188
H -3.878544 -1.953649 0.410205
H 3.394949 2.605361 -1.986750
H -4.708334 2.232406 2.344487
H -5.313408 0.674782 2.780527
H 5.965210 1.647273 1.655677
H 5.345859 0.133788 2.339702


