%chk=000229237.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229237

0 1
S 4.566874 -1.593266 -0.269618
O 2.396904 0.101786 -1.748859
O 1.649656 -2.633721 2.581270
O -3.488165 3.307186 3.336153
O -5.366412 -4.258889 -2.027240
N 3.083904 1.889136 -0.448097
N 1.256784 -1.359486 0.672734
N 1.838934 1.996259 0.128717
N 0.082563 -2.008920 0.373197
C 5.510156 -0.074007 -0.640869
C 4.475239 -1.634816 1.546530
C 4.754795 0.644491 -1.748722
C 3.239848 -0.912242 2.049830
C 3.295840 0.808315 -1.357158
C 1.980192 -1.751508 1.821235
C 0.238319 3.121455 1.510541
C -1.766590 -2.390758 -1.109079
C -0.624502 2.003427 1.582289
C -2.348933 -3.365153 -0.267725
C -0.165086 4.343540 2.071308
C -2.414813 -2.032514 -2.301096
C -2.243413 3.347433 2.757140
C -4.182758 -3.585739 -1.813379
C 1.557349 3.039136 0.862764
C -0.490870 -1.738738 -0.770821
C -1.860296 2.106576 2.201950
C -3.552292 -3.965826 -0.609684
C -1.406540 4.470193 2.698347
C -3.627877 -2.624238 -2.665785
C -3.995842 4.518491 3.946902
C -6.106585 -3.959145 -3.234126
H 6.527050 -0.358972 -0.975019
H 5.631026 0.555386 0.257044
H 5.394679 -1.227055 2.002597
H 4.445074 -2.714020 1.826280
H 4.787484 0.048926 -2.693700
H 5.238313 1.607564 -2.004056
H 3.149042 0.104135 1.620160
H 3.320301 -0.752057 3.150510
H 3.829397 2.561507 -0.246998
H 1.665043 -0.678917 -0.000128
H -0.313878 1.047794 1.145417
H -1.840802 -3.645104 0.661405
H 0.490445 5.213039 2.019292
H -1.973317 -1.282447 -2.958218
H 2.227218 3.891805 1.051906
H -0.093020 -1.044358 -1.532459
H -2.537111 1.254929 2.269734
H -4.015742 -4.717857 0.024691
H -1.703269 5.421911 3.124452
H -4.113511 -2.334236 -3.590004
H -4.976995 4.187599 4.313754
H -4.104131 5.306334 3.196351
H -3.351798 4.825422 4.775624
H -6.973689 -4.625229 -3.137041
H -5.513616 -4.214237 -4.116975
H -6.416677 -2.910417 -3.239266


%chk=000229237-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229237

0 1
S 4.367159 -1.833682 -0.360317
O 1.327504 0.230572 -0.606604
O 1.738235 -3.936974 1.943821
O -2.570699 5.939661 4.794376
O -4.631765 -6.284511 -3.659193
N 2.326534 2.281815 -0.100466
N 0.784988 -2.388093 0.438963
N 1.296847 2.688312 0.740764
N -0.106899 -3.294683 -0.113156
C 4.665995 0.013317 -0.670180
C 4.044388 -1.894136 1.513375
C 3.564633 0.717385 -1.517018
C 2.581576 -1.640324 1.926960
C 2.296186 1.031748 -0.727546
C 1.660903 -2.777473 1.450399
C 0.386388 4.425087 2.171705
C -1.823060 -3.725550 -1.769935
C -0.773469 3.670432 2.528840
C -2.014625 -5.081773 -1.363606
C 0.545727 5.725906 2.717700
C -2.605127 -3.225759 -2.843403
C -1.554802 5.509742 3.937990
C -3.725861 -5.378864 -3.085254
C 1.404208 3.893078 1.267198
C -0.846238 -2.852291 -1.113416
C -1.729926 4.204037 3.398963
C -2.951708 -5.896515 -2.010756
C -0.411104 6.275318 3.595476
C -3.553130 -4.036842 -3.504794
C -2.449939 7.277216 5.385110
C -5.454040 -5.805568 -4.771622
H 5.621427 0.065227 -1.219177
H 4.806365 0.506566 0.308355
H 4.734938 -1.176663 1.990710
H 4.344843 -2.915917 1.802109
H 3.285906 0.069828 -2.364657
H 3.994643 1.650805 -1.936178
H 2.235718 -0.651541 1.580016
H 2.536456 -1.646580 3.033749
H 3.129542 2.904660 -0.282994
H 0.887968 -1.434029 0.038684
H -0.897660 2.667478 2.108935
H -1.409868 -5.466441 -0.536381
H 1.430539 6.319215 2.453867
H -2.471022 -2.186114 -3.168515
H 2.268518 4.557205 1.050709
H -0.763662 -1.816514 -1.498561
H -2.622571 3.638966 3.683164
H -3.108210 -6.937087 -1.710157
H -0.260008 7.280399 3.999560
H -4.139318 -3.619905 -4.329156
H -3.345635 7.394060 6.011676
H -2.435526 8.060122 4.602720
H -1.541302 7.356927 6.012234
H -6.075985 -6.665491 -5.060741
H -4.828120 -5.492274 -5.630166
H -6.102954 -4.963583 -4.460178


