%chk=000251547.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251547

0 1
S -2.792143 1.148998 0.582048
O 0.086531 -2.192441 -1.244342
O -0.599032 2.018722 0.521004
N -0.572981 -0.127192 -0.330723
N -2.747765 -1.292567 -0.387549
C 1.742681 -0.406934 -0.862449
C 1.535319 1.018091 -0.277262
C 2.757888 -1.275563 -0.100378
C 2.380223 1.340172 0.967833
C 0.369680 -1.094594 -0.870365
C 0.051256 1.116399 0.046434
C 3.935956 -0.464986 0.350633
C 3.759002 0.762154 0.851378
C -1.956769 -0.272179 -0.131255
C -4.287177 0.253178 0.504367
C -4.080505 -0.986353 -0.021846
H 2.086851 -0.314519 -1.923927
H 1.776257 1.773805 -1.068624
H 3.070360 -2.125347 -0.741814
H 2.281544 -1.740044 0.792861
H 1.898263 0.929388 1.883911
H 2.411649 2.438782 1.118174
H 4.911625 -0.934363 0.257150
H 4.576772 1.384892 1.203592
H -5.210959 0.685755 0.844317
H -4.820524 -1.763554 -0.191870


%chk=000251547-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251547

0 1
S -3.037215 1.231689 0.640383
O -0.036420 -2.132952 -1.161040
O -0.446823 2.238471 0.569724
N -0.609413 0.024280 -0.260542
N -2.671541 -1.225853 -0.399860
C 1.701673 -0.394845 -0.818720
C 1.574570 1.045062 -0.259140
C 2.708263 -1.300539 -0.036513
C 2.485408 1.340157 0.978199
C 0.289278 -0.990632 -0.800173
C 0.096925 1.223860 0.073166
C 3.972423 -0.522349 0.281643
C 3.865480 0.743350 0.767041
C -1.998167 -0.135716 -0.081870
C -4.427649 0.112026 0.435202
C -4.034634 -1.095375 -0.113862
H 2.032919 -0.367589 -1.872637
H 1.832401 1.783160 -1.040405
H 2.912850 -2.211205 -0.622900
H 2.231012 -1.635631 0.908077
H 2.021358 0.891764 1.881434
H 2.523013 2.427675 1.154652
H 4.947795 -0.998413 0.128385
H 4.750247 1.337111 1.024252
H -5.425961 0.427167 0.731604
H -4.693787 -1.934973 -0.334804


