%chk=000210776.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210776

0 1
S 1.942792 2.714610 -0.233452
N -0.823336 0.110243 0.010919
C 0.645469 -0.198334 0.136205
C 1.234847 0.597404 1.337194
C 1.380507 0.214443 -1.170822
C -1.483830 -0.521942 -1.179411
C -1.618182 -0.199033 1.246147
C 0.888573 -1.725629 0.378794
C -2.884945 0.086247 -1.367547
C -3.021265 0.419893 1.116587
C -3.750199 -0.123145 -0.118712
C 1.045356 2.100723 1.223427
C 1.205730 1.679421 -1.533788
C 2.333720 -2.117305 0.410818
C 2.825351 -3.181284 -0.221578
H 2.315620 0.355969 1.424969
H 0.776610 0.242051 2.283559
H 1.031448 -0.418997 -2.012597
H 2.460216 -0.022642 -1.062047
H -1.561892 -1.627160 -1.085840
H -0.871111 -0.317294 -2.084118
H -1.102408 0.241714 2.126944
H -1.705720 -1.291018 1.434610
H 0.346028 -2.305583 -0.394747
H 0.423909 -2.026396 1.340774
H -3.368549 -0.360799 -2.254318
H -2.787871 1.171205 -1.573839
H -2.929556 1.521949 1.038812
H -3.604231 0.216157 2.032358
H -4.724905 0.384178 -0.240407
H -3.976768 -1.197738 0.013181
H -0.027796 2.364716 1.132270
H 1.448838 2.631922 2.104496
H 1.717702 1.929701 -2.480772
H 0.134992 1.942166 -1.649392
H 2.973326 -1.466562 1.014105
H 3.866408 -3.465567 -0.176847
H 2.235120 -3.850085 -0.829337


%chk=000210776-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210776

0 1
S 1.847251 2.836910 -0.295724
N -0.827912 0.032823 0.020597
C 0.648339 -0.263236 0.136383
C 1.260990 0.564377 1.312687
C 1.380567 0.163630 -1.174652
C -1.526433 -0.546640 -1.157317
C -1.639679 -0.179115 1.248032
C 0.894000 -1.805990 0.391848
C -2.902679 0.122201 -1.368109
C -3.020465 0.502832 1.123582
C -3.785031 -0.022987 -0.110068
C 0.997626 2.075826 1.216459
C 1.144023 1.628666 -1.574797
C 2.336556 -2.232209 0.550983
C 3.000647 -3.068288 -0.288068
H 2.353887 0.398674 1.310893
H 0.890250 0.185092 2.286233
H 1.085180 -0.497911 -2.013522
H 2.462438 -0.006795 -1.025542
H -1.683791 -1.650716 -1.043307
H -0.913541 -0.397527 -2.060789
H -1.109644 0.240309 2.118511
H -1.802262 -1.269212 1.453394
H 0.440139 -2.373600 -0.443844
H 0.337075 -2.079326 1.312926
H -3.397407 -0.332775 -2.248380
H -2.745557 1.196090 -1.588769
H -2.870010 1.595984 1.028240
H -3.600015 0.322802 2.050017
H -4.741306 0.518603 -0.238111
H -4.037230 -1.093372 0.041525
H -0.080256 2.292481 1.143492
H 1.424384 2.613748 2.080130
H 1.669320 1.876984 -2.512865
H 0.069485 1.846639 -1.687197
H 2.869659 -1.840239 1.430651
H 4.045847 -3.349029 -0.114780
H 2.515551 -3.497509 -1.174142


