%chk=000248531.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248531

0 1
S 0.165524 -1.421223 2.216739
O 0.349984 -1.022855 3.594839
O -0.362702 -2.713004 1.869581
O -4.230653 -0.355119 -2.619739
O -1.645545 -1.654045 -2.776618
O 6.095075 1.278032 0.308882
N -0.989873 -0.201727 1.691662
N 4.975410 -0.230064 -1.033778
C -1.613671 -0.146695 0.443657
C -2.377220 1.094862 0.107371
C -3.194515 1.096929 -1.043363
C 1.554785 -1.074124 1.291896
C -1.503718 -1.154905 -0.463087
C -2.303083 2.256490 0.886326
C -3.285408 -0.119353 -1.912824
C 2.529263 -0.194066 1.789548
C 1.744397 -1.673800 0.037058
C -2.059299 -1.070508 -1.805402
C -3.938957 2.230413 -1.382929
C 3.844622 -0.490798 -0.217873
C 3.666041 0.103532 1.048789
C 2.873389 -1.390942 -0.721079
C -3.039676 3.394810 0.535269
C -3.859859 3.383675 -0.594056
C 6.057126 0.650011 -0.724427
C 7.104283 0.703357 -1.795879
H -1.279978 0.503395 2.387215
H -1.018267 -2.110739 -0.239589
H -1.667999 2.294361 1.772565
H 2.398966 0.261402 2.780010
H 0.995465 -2.376465 -0.355918
H -4.583525 2.203494 -2.267190
H 4.419831 0.793619 1.448169
H 2.996968 -1.861595 -1.694846
H -2.970518 4.292533 1.151203
H -4.438317 4.267922 -0.862673
H 5.002194 -0.725903 -1.930652
H 7.577723 -0.271822 -1.978628
H 7.913005 1.394278 -1.495383
H 6.714736 1.075335 -2.754247


%chk=000248531-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248531

0 1
S 0.141957 -1.425676 2.283832
O 0.334426 -0.896143 3.806535
O -0.371238 -2.924434 1.945631
O -3.516115 0.352592 -3.313286
O -1.875240 -1.879022 -2.745087
O 6.082270 1.545502 -0.003261
N -1.070873 -0.147210 1.682893
N 5.120989 -0.344020 -1.014448
C -1.677790 -0.078707 0.434981
C -2.496266 1.139104 0.159443
C -3.142722 1.266692 -1.109175
C 1.672333 -1.072106 1.265324
C -1.507589 -1.067363 -0.524797
C -2.661539 2.177216 1.111860
C -2.966169 0.236821 -2.183868
C 2.482418 0.010669 1.645029
C 1.974200 -1.927514 0.192117
C -2.072796 -0.986516 -1.860404
C -3.947288 2.397527 -1.385813
C 3.974591 -0.554950 -0.212116
C 3.646551 0.276328 0.898906
C 3.136895 -1.657054 -0.548862
C -3.470040 3.299556 0.827313
C -4.121381 3.411180 -0.422421
C 6.103433 0.657195 -0.899362
C 7.195368 0.564726 -1.961082
H -1.399181 0.385591 2.494787
H -0.973099 -1.991467 -0.289153
H -2.152819 2.145302 2.081217
H 2.224957 0.625703 2.513137
H 1.335971 -2.783753 -0.044467
H -4.421050 2.456377 -2.371305
H 4.304135 1.107379 1.157627
H 3.392455 -2.305368 -1.395333
H -3.585427 4.087074 1.579397
H -4.747511 4.281737 -0.641905
H 5.247309 -1.005571 -1.785074
H 7.731958 -0.400341 -1.902293
H 7.915032 1.378878 -1.796827
H 6.774889 0.662766 -2.979090


