%chk=000285623.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285623

0 1
S 2.306230 1.893241 0.578290
O 2.629548 2.769585 -0.515786
O 2.849195 2.170388 1.897919
O -0.118558 1.192591 -1.070198
N 0.586914 2.072765 0.919898
N -1.730969 2.155058 0.289318
N 3.134948 -3.773337 -0.786269
C 2.531229 0.261618 0.178574
C -2.828159 1.625344 -0.561950
C -3.332934 0.289516 -0.070274
C 2.249924 -0.206097 -1.118004
C 3.027486 -0.632466 1.143812
C -0.411020 1.752988 -0.019924
C 2.964080 -2.430074 -0.476540
C 2.464035 -1.534797 -1.455561
C 3.249802 -1.964687 0.835485
C -2.565937 -0.864002 -0.293779
C -4.556233 0.194915 0.605528
C -3.023254 -2.103854 0.156962
C -5.011162 -1.049734 1.052961
C -4.246587 -2.198707 0.830288
H -2.458218 1.534965 -1.616062
H -3.635898 2.392370 -0.579446
H 0.325135 2.563376 1.784728
H 1.848637 0.488970 -1.872285
H 3.249783 -0.266291 2.155346
H -1.989083 2.313608 1.261301
H 2.237518 -1.883260 -2.458974
H 3.632132 -2.645571 1.589390
H -1.610332 -0.783544 -0.820081
H -5.157598 1.084572 0.781327
H -2.426792 -2.997988 -0.017255
H -5.963513 -1.122486 1.575396
H -4.602445 -3.166211 1.179074
H 3.624142 -4.383008 -0.154765
H 3.075755 -4.085957 -1.739840


%chk=000285623-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000285623

0 1
S 2.351693 1.816652 0.653059
O 2.520135 2.929872 -0.506464
O 2.925488 2.076378 2.155157
O -0.079396 1.004371 -1.125882
N 0.548166 1.594104 1.049516
N -1.724539 1.554455 0.450457
N 4.438411 -3.518295 -1.265972
C 2.940663 0.159001 0.053678
C -2.851720 1.268275 -0.452796
C -3.819189 0.230293 0.107904
C 2.780682 -0.178765 -1.302928
C 3.578362 -0.677349 0.988544
C -0.406858 1.374592 0.042533
C 3.941034 -2.298497 -0.826118
C 3.286977 -1.413237 -1.739004
C 4.079983 -1.911403 0.542819
C -3.337963 -0.996527 0.633729
C -5.215564 0.466266 0.087516
C -4.236953 -1.967506 1.125520
C -6.118734 -0.506050 0.576872
C -5.631583 -1.725981 1.098010
H -2.389823 0.914044 -1.393609
H -3.396333 2.203906 -0.686596
H 0.336998 1.969383 1.981846
H 2.259877 0.499335 -1.983567
H 3.693381 -0.355274 2.028416
H -1.935927 1.858968 1.401475
H 3.171986 -1.702937 -2.789545
H 4.586443 -2.578764 1.249358
H -2.258141 -1.186114 0.652316
H -5.598936 1.413250 -0.313430
H -3.853493 -2.912633 1.526581
H -7.196686 -0.310049 0.555032
H -6.329172 -2.479818 1.479825
H 4.909295 -4.152451 -0.626832
H 4.349236 -3.797696 -2.238819


