%chk=000257212.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257212

0 1
S 1.752975 -0.779701 -0.047543
O 1.104477 -0.848716 -1.346027
O 1.978296 -1.994084 0.710644
O -3.642852 -1.395296 -0.232165
O -6.156579 1.606830 -1.467401
N 0.827047 0.265954 0.987305
N -4.270304 0.789850 -0.470050
N -5.955052 -0.684222 -1.408296
C -2.110842 0.288254 0.642578
C -1.397600 -0.885249 1.337773
C -1.176097 0.950050 -0.384470
C -0.065002 -0.432001 1.954787
C 0.131706 1.387386 0.300140
C -3.373701 -0.223332 -0.049166
C 3.233691 0.099974 -0.223765
C 4.098485 0.243963 0.864709
C 3.568206 0.647543 -1.466919
C 5.298266 0.947238 0.713211
C 4.766584 1.349662 -1.619768
C -5.530609 0.605363 -1.158261
C 5.630294 1.499411 -0.528295
H -2.399349 1.040707 1.420138
H -1.233267 -1.709779 0.608703
H -2.048084 -1.325066 2.118122
H -1.657642 1.816760 -0.869733
H -0.939590 0.230978 -1.206892
H -0.249607 0.264319 2.804141
H 0.477114 -1.311971 2.380455
H 0.817248 1.850366 -0.443342
H -0.076571 2.173625 1.062482
H -4.038742 1.779445 -0.312673
H 3.845368 -0.194645 1.834735
H 2.894487 0.519251 -2.323047
H 5.973559 1.060127 1.560131
H 5.029813 1.774769 -2.587291
H 6.566747 2.046202 -0.647467
H -6.814900 -0.825005 -1.917181
H -5.396173 -1.504358 -1.169503


%chk=000257212-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257212

0 1
S 1.818863 -0.778379 -0.123443
O 1.317474 -0.933083 -1.675249
O 1.968965 -2.074159 0.856350
O -3.535182 -1.331395 -0.754510
O -6.778310 1.372173 -0.475080
N 0.757235 0.486123 0.867667
N -4.589398 0.654785 -0.108482
N -6.107453 -0.721821 -1.304006
C -2.199365 0.341076 0.446078
C -1.457839 -0.762573 1.239894
C -1.260603 0.886514 -0.671518
C -0.135159 -0.224005 1.829427
C 0.054202 1.422601 -0.057340
C -3.485903 -0.198112 -0.180735
C 3.471773 0.137448 -0.184099
C 4.243831 0.202444 0.986960
C 3.868982 0.670002 -1.420164
C 5.491348 0.863044 0.908897
C 5.120981 1.327432 -1.476598
C -5.917251 0.464471 -0.645607
C 5.923998 1.425675 -0.316500
H -2.448886 1.177136 1.135712
H -1.263994 -1.618746 0.568681
H -2.090493 -1.136058 2.067551
H -1.752549 1.705040 -1.231584
H -1.032168 0.075061 -1.385626
H -0.337474 0.518451 2.629161
H 0.448256 -1.047851 2.277442
H 0.755562 1.719007 -0.857833
H -0.146679 2.328317 0.551831
H -4.493846 1.550257 0.377562
H 3.893668 -0.255315 1.917041
H 3.231315 0.548713 -2.302088
H 6.123074 0.933790 1.800378
H 5.466791 1.753169 -2.424196
H 6.893042 1.933740 -0.368020
H -7.027828 -0.899790 -1.699377
H -5.327178 -1.390581 -1.377778


