%chk=000197350.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197350

0 1
S 3.783258 -1.121385 1.891893
O -2.433539 -0.691757 0.765779
O -3.423654 -1.470444 -1.188807
N -0.143917 0.233181 -1.109498
N -0.464332 1.373932 -1.812123
N 1.736131 -0.501636 0.372764
N 3.438386 1.245418 0.663527
N 3.333352 3.347633 -0.392134
C -1.028764 -0.942034 -1.095447
C -2.463450 -0.573026 -0.651560
C 1.057783 0.395142 -0.422996
C 1.517454 1.730099 -0.734222
C 0.517000 2.278584 -1.605261
C 2.755284 2.120414 -0.150416
C -3.623719 -0.201303 1.452407
C -3.345028 -2.861028 -0.760772
C 2.894177 -0.002605 0.865106
C -3.419566 -0.635455 2.890996
C -4.752476 -3.394872 -0.951416
C 5.261095 -0.208819 2.367329
H -1.072159 -1.392130 -2.116941
H -0.593610 -1.703603 -0.396012
H -2.826252 0.415147 -1.005782
H 0.506749 3.257562 -2.055822
H -3.650720 0.895873 1.337342
H -4.513811 -0.657844 0.984698
H -2.610674 -3.357572 -1.417122
H -3.009757 -2.900954 0.291793
H -4.192596 -0.225296 3.548762
H -3.430058 -1.728903 2.985222
H -2.439471 -0.301875 3.263641
H -4.797099 -4.475929 -0.782347
H -5.460564 -2.910463 -0.267418
H -5.113189 -3.192914 -1.970075
H 2.820211 4.071098 -0.861773
H 4.175387 3.613132 0.096582
H 5.015679 0.705759 2.923646
H 5.855710 0.091138 1.493800
H 5.867548 -0.863864 3.004755


%chk=000197350-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197350

0 1
S 3.652552 -1.492902 1.589890
O -2.363137 -0.516750 0.686916
O -3.488204 -1.627486 -1.151246
N -0.266414 0.327628 -1.187238
N -0.639460 1.567695 -1.731280
N 1.581736 -0.596566 0.143422
N 3.273102 1.083858 0.716300
N 3.158011 3.328344 0.068434
C -1.127590 -0.841600 -1.342973
C -2.531938 -0.598705 -0.751078
C 0.925897 0.412524 -0.495427
C 1.357505 1.776997 -0.595147
C 0.345952 2.434133 -1.370529
C 2.595714 2.074259 0.060341
C -3.535263 0.055303 1.388874
C -3.135712 -3.010697 -0.740650
C 2.739730 -0.178877 0.720566
C -3.212574 0.056207 2.881554
C -4.403610 -3.851754 -0.879921
C 5.143686 -0.539220 2.220810
H -1.238261 -1.085117 -2.414476
H -0.624862 -1.672651 -0.820535
H -2.969601 0.333424 -1.158661
H 0.269425 3.472466 -1.690355
H -3.711199 1.085852 1.012514
H -4.432113 -0.555859 1.164238
H -2.331897 -3.399438 -1.399754
H -2.765272 -2.998573 0.302923
H -4.052165 0.489430 3.455594
H -3.035336 -0.971956 3.241579
H -2.305107 0.651387 3.081637
H -4.197105 -4.905502 -0.616606
H -5.196893 -3.471527 -0.213187
H -4.780060 -3.817972 -1.917064
H 2.712915 4.114612 -0.395807
H 4.041742 3.457066 0.557449
H 4.816659 0.262579 2.897025
H 5.699954 -0.111515 1.375416
H 5.755991 -1.280698 2.758550


