%chk=000248884.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248884

0 1
S 1.241952 -1.110805 1.120465
O -1.291969 2.468045 1.619409
O 2.073180 -1.002395 2.300516
O 0.556126 -2.341517 0.804964
N 0.074529 0.138133 1.341229
C -1.157067 0.267279 0.668459
C 2.135655 -0.581912 -0.259034
C -1.886858 1.481293 0.829566
C -1.693880 -0.725042 -0.165503
C -2.905286 -0.503232 -0.837748
C -3.085944 1.703325 0.157755
C -3.593080 0.711158 -0.684910
C 3.368032 0.056081 -0.078966
C 1.637353 -0.793736 -1.548361
C -3.472273 -1.565368 -1.723773
C 4.100254 0.487756 -1.188254
C 2.368126 -0.361745 -2.659321
C 3.598150 0.279879 -2.477935
C -2.011540 2.746858 2.848555
H 0.260224 0.896418 2.023713
H -1.201987 -1.698814 -0.256759
H -3.612332 2.647301 0.287479
H -4.525079 0.880612 -1.217037
H 3.764382 0.212038 0.931622
H 0.677865 -1.300874 -1.695266
H -2.901946 -2.503466 -1.681173
H -4.506884 -1.810249 -1.443320
H -3.487367 -1.240399 -2.773583
H 5.059476 0.984259 -1.048286
H 1.979250 -0.524837 -3.663482
H 4.168150 0.618230 -3.344446
H -2.086631 1.841638 3.456863
H -2.999662 3.156343 2.624551
H -1.372717 3.498445 3.326009


%chk=000248884-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248884

0 1
S 1.255875 -1.762416 0.995147
O -0.714849 1.709547 1.649578
O 2.303705 -1.992549 2.216516
O 0.707819 -2.968452 0.053949
N -0.358025 -1.005204 1.865537
C -1.325149 -0.495227 0.966623
C 1.996121 -0.455454 -0.169217
C -1.551274 0.915441 0.848550
C -2.114483 -1.389074 0.197050
C -3.113605 -0.916517 -0.684629
C -2.566093 1.399089 -0.002836
C -3.330974 0.484472 -0.763179
C 2.989918 0.395020 0.343464
C 1.522473 -0.404193 -1.490715
C -3.933983 -1.880655 -1.524473
C 3.538369 1.361293 -0.530994
C 2.079197 0.574758 -2.347022
C 3.079485 1.453220 -1.867380
C -0.895428 3.162413 1.594028
H 0.045568 -0.263192 2.471324
H -1.927055 -2.461286 0.312049
H -2.765284 2.471660 -0.088481
H -4.116538 0.870255 -1.424179
H 3.338544 0.282179 1.375345
H 0.768700 -1.117898 -1.837886
H -3.881586 -2.907282 -1.124325
H -4.997392 -1.582508 -1.561374
H -3.566832 -1.914684 -2.568541
H 4.325202 2.032770 -0.171464
H 1.737016 0.642840 -3.384947
H 3.511382 2.203325 -2.538951
H -1.909915 3.449090 1.930920
H -0.716977 3.546280 0.571388
H -0.143729 3.573638 2.283121


