%chk=000246898.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246898

0 1
S -2.059278 1.627308 0.001007
O 3.326135 1.598040 -0.001474
O 4.033403 -0.522265 0.000293
N -2.454235 -0.964958 0.000566
C -0.645485 0.606694 0.000590
C -1.047909 -0.760591 0.000396
C 0.694459 0.967366 0.000389
C 1.645334 -0.063176 0.000024
C -0.085870 -1.782869 0.000027
C -3.119165 0.158394 0.000977
C 1.257094 -1.422965 -0.000125
C -4.573675 0.347333 0.001269
C 3.090945 0.236800 -0.000220
H 1.012629 2.014159 0.000540
H -0.399927 -2.827344 -0.000088
H 2.035612 -2.193937 -0.000337
H -4.920182 0.900080 0.891405
H -4.920149 0.903946 -0.886464
H -5.109895 -0.621569 -0.000771
H 4.299059 1.808853 -0.001706


%chk=000246898-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246898

0 1
S -2.093102 1.732048 0.000500
O 3.399718 1.622322 -0.000120
O 4.046359 -0.607268 -0.000448
N -2.460909 -0.941864 0.000768
C -0.649874 0.638934 0.000156
C -1.067547 -0.735510 0.000358
C 0.707400 0.994627 -0.000270
C 1.667495 -0.049672 -0.000524
C -0.095044 -1.764848 0.000134
C -3.141338 0.184023 0.000894
C 1.264558 -1.418036 -0.000293
C -4.633643 0.308475 0.001499
C 3.123509 0.243661 -0.001061
H 1.043200 2.033913 -0.000443
H -0.423344 -2.807753 0.000296
H 2.043512 -2.186478 -0.000493
H -4.989918 0.855035 0.893467
H -4.990485 0.857926 -0.888441
H -5.077766 -0.699195 0.000073
H 4.386118 1.748959 0.000247


