%chk=000231991.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231991

0 1
S 0.890864 -1.598566 0.105663
O 1.595516 -2.418625 1.067185
O 0.382331 -2.159270 -1.125022
O -2.012313 0.422205 2.683860
N -0.427728 -0.966205 1.014532
C 1.833232 -0.197912 -0.258921
C -1.577237 -0.340243 0.480758
C 2.897389 0.156589 0.577335
C 1.540476 0.573766 -1.387844
C -2.414066 0.415055 1.360324
C -1.946807 -0.408975 -0.867640
C 3.664682 1.288842 0.289568
C 2.306373 1.707137 -1.676777
C -3.546013 1.085748 0.909413
C -3.083495 0.273116 -1.324955
C 3.366688 2.064330 -0.836576
C -3.875057 1.016294 -0.452807
H -0.434631 -1.066412 2.043262
H 3.137052 -0.456967 1.453717
H 0.717566 0.290837 -2.052885
H -1.375976 -1.026349 -1.571777
H 4.493499 1.564935 0.939973
H 2.078035 2.309055 -2.555276
H -4.166358 1.655093 1.595283
H -3.349318 0.206030 -2.379452
H 3.964348 2.948932 -1.061260
H -4.755145 1.540663 -0.818913
H -2.662806 0.896094 3.254734


%chk=000231991-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231991

0 1
S 0.902226 -1.873073 -0.047552
O 1.819513 -2.791981 0.928432
O 0.460032 -2.323453 -1.543567
O -1.227033 0.697694 2.315759
N -0.781102 -1.654036 0.942248
C 1.733299 -0.172508 -0.207363
C -1.669349 -0.688044 0.410800
C 2.662445 0.199684 0.778316
C 1.385804 0.629926 -1.306598
C -1.936594 0.528765 1.112230
C -2.344661 -0.930833 -0.815347
C 3.278802 1.465639 0.648783
C 2.009129 1.895474 -1.413051
C -2.870981 1.461523 0.618412
C -3.255637 0.015619 -1.327653
C 2.947813 2.309949 -0.438633
C -3.524424 1.206322 -0.609598
H -0.462443 -1.425924 1.903718
H 2.910772 -0.486238 1.594876
H 0.676932 0.266620 -2.057261
H -2.138530 -1.867444 -1.341253
H 4.018193 1.786331 1.390085
H 1.766030 2.548527 -2.257597
H -3.081357 2.383148 1.176471
H -3.768741 -0.181641 -2.274136
H 3.431284 3.288541 -0.531915
H -4.245979 1.933252 -0.997188
H -1.454341 1.553360 2.754084


