%chk=000249935.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249935

0 1
S 2.729063 0.392109 0.439367
O 3.320599 0.745153 -0.841688
O 3.242681 1.022590 1.642230
N 2.845889 -1.308397 0.710896
C -3.955959 -0.049887 -0.248038
C -3.229625 1.272027 0.049571
C -5.471995 0.156751 -0.351070
C -1.745930 1.051066 0.147871
C 1.019033 0.629870 0.329015
C 4.020347 -1.752183 1.509418
C 2.442146 -2.202331 -0.406048
C -6.197419 -1.163411 -0.648111
C -1.158243 0.734896 1.383898
C -0.938065 1.154524 -0.997813
C 0.219883 0.529300 1.471736
C 0.438100 0.947750 -0.903435
C 5.377840 -1.551528 0.837226
C 3.317613 -2.134567 -1.655618
C -7.707740 -0.965358 -0.752013
H -3.725898 -0.788770 0.544719
H -3.566809 -0.485876 -1.189152
H -3.461805 2.017056 -0.739300
H -3.620986 1.715473 0.988483
H -5.860877 0.593754 0.588940
H -5.702033 0.896076 -1.142453
H 3.879660 -2.825851 1.767538
H 3.992289 -1.186325 2.474565
H 1.386347 -1.953827 -0.666711
H 2.422257 -3.248063 -0.019581
H -5.812712 -1.601468 -1.590064
H -5.971708 -1.904239 0.143991
H -1.776435 0.653037 2.275983
H -1.385494 1.400213 -1.959107
H 0.672125 0.294478 2.440798
H 1.068172 1.041614 -1.796646
H 6.185974 -1.959779 1.453495
H 5.605212 -0.488399 0.676228
H 5.424610 -2.041818 -0.146418
H 2.937703 -2.786750 -2.446729
H 4.354409 -2.432729 -1.439197
H 3.376269 -1.110638 -2.064674
H -7.970169 -0.265983 -1.554051
H -8.217351 -1.912206 -0.964170
H -8.129068 -0.568755 0.178822


%chk=000249935-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249935

0 1
S 2.819077 0.408526 0.403193
O 3.437642 0.918812 -1.027428
O 3.355637 1.042948 1.805766
N 2.924555 -1.442856 0.650233
C -4.071994 -0.031746 -0.242417
C -3.312771 1.296363 0.041427
C -5.601954 0.163417 -0.321684
C -1.809194 1.097122 0.132725
C 0.950675 0.642566 0.291711
C 4.096452 -1.830435 1.488287
C 2.577801 -2.214981 -0.574324
C -6.365843 -1.148240 -0.616332
C -1.200793 0.754127 1.370912
C -0.988913 1.217303 -1.019815
C 0.188543 0.525243 1.465505
C 0.404669 0.993488 -0.952322
C 5.515324 -1.459459 0.993820
C 3.625344 -2.342882 -1.706675
C -7.895010 -0.947883 -0.690080
H -3.829896 -0.765981 0.552431
H -3.700440 -0.466508 -1.192297
H -3.553369 2.019153 -0.762201
H -3.697782 1.726114 0.986769
H -5.968990 0.593958 0.633578
H -5.838548 0.909243 -1.109401
H 3.997473 -2.927954 1.608160
H 3.937818 -1.375547 2.481789
H 1.650358 -1.766010 -0.980422
H 2.292407 -3.220337 -0.204056
H -6.000337 -1.575177 -1.572402
H -6.126293 -1.894098 0.168767
H -1.820750 0.674847 2.271723
H -1.442157 1.498399 -1.977705
H 0.667331 0.280807 2.418617
H 1.059238 1.110343 -1.822609
H 6.258002 -1.813127 1.733431
H 5.621011 -0.363642 0.913471
H 5.759133 -1.908027 0.017938
H 3.157954 -2.841735 -2.576603
H 4.492531 -2.952102 -1.399850
H 3.978168 -1.346862 -2.023205
H -8.162480 -0.228373 -1.486848
H -8.417947 -1.898058 -0.903565
H -8.289779 -0.552162 0.264692


