%chk=000245187.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245187

0 1
S 4.760634 1.798789 -1.292439
O 1.723489 0.047247 -0.120860
O 1.103701 -1.502428 -1.685263
O -1.813696 -1.736386 -1.582868
N -0.468987 -0.264118 -0.401276
C 3.150405 -0.188298 -0.416877
C 3.818715 1.095584 0.104022
C 3.648573 -1.362562 0.436347
C 4.743750 0.687948 1.255609
C 4.882944 -0.845720 1.190829
C 0.803042 -0.691211 -0.850570
C -1.729812 -0.803189 -0.829499
C -2.878101 -0.071001 -0.205457
C -3.728609 -0.764788 0.664989
C -3.122085 1.270894 -0.524818
C -4.824188 -0.103982 1.227943
C -4.222557 1.922717 0.038205
C -5.070460 1.237167 0.915356
H 3.240245 -0.369113 -1.509483
H 3.040813 1.821061 0.438347
H 3.881280 -2.244942 -0.184573
H 2.856670 -1.683826 1.139839
H 4.300349 0.992294 2.222807
H 5.732243 1.176860 1.207515
H 4.957961 -1.287946 2.197529
H 5.809035 -1.126584 0.655856
H 4.981913 3.037393 -0.804225
H -0.468103 0.485476 0.305307
H -3.540909 -1.815058 0.894306
H -2.465902 1.800580 -1.216281
H -5.489479 -0.637599 1.906264
H -4.421620 2.964875 -0.209674
H -5.927854 1.748766 1.353194


%chk=000245187-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245187

0 1
S 5.514817 1.120454 -1.453708
O 1.774386 0.121991 -0.260889
O 1.039653 -1.706673 -1.554697
O -1.834281 -2.059503 -1.022325
N -0.439173 -0.303924 -0.308141
C 3.192644 -0.173275 -0.663800
C 3.960919 1.123391 -0.334269
C 3.804800 -1.275014 0.242992
C 4.312410 0.968483 1.159560
C 4.667731 -0.535392 1.315587
C 0.802645 -0.751993 -0.794795
C -1.700012 -0.927652 -0.492996
C -2.869464 -0.132027 0.028726
C -4.063983 -0.847404 0.303087
C -2.841603 1.275084 0.221588
C -5.203955 -0.173237 0.784821
C -3.986719 1.949820 0.698240
C -5.167067 1.227107 0.988109
H 3.181217 -0.443780 -1.733283
H 3.376437 2.023542 -0.578227
H 4.416024 -1.964956 -0.362586
H 2.994959 -1.873401 0.693828
H 3.404755 1.210369 1.747286
H 5.119216 1.644724 1.491539
H 4.465809 -0.898722 2.337718
H 5.740089 -0.690781 1.106243
H 6.153298 2.156712 -0.792363
H -0.390051 0.533801 0.275729
H -4.073361 -1.927496 0.123944
H -1.953677 1.864318 -0.038994
H -6.119436 -0.734574 0.999699
H -3.961958 3.036518 0.832672
H -6.053667 1.752389 1.359803


