%chk=000247248.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247248

0 1
S -3.076754 1.472141 -1.128093
O 6.079156 0.641715 -0.025252
O -1.461758 -4.380162 -0.839173
O -4.085551 2.492536 -1.305702
O -3.181409 0.256252 -1.917871
N 3.409262 0.101726 0.852613
N 0.254502 -2.313558 -1.820794
N 1.861628 -1.150073 -0.464534
N -0.164617 -0.045911 -1.256291
N 1.550367 1.259493 -0.108016
N -0.546315 2.237786 -0.736851
N -1.588643 2.273548 -1.685873
N -2.498815 0.249114 4.610222
C 4.061654 1.415905 1.125651
C 4.412366 -0.993937 0.711335
C -1.158712 -2.419381 -2.294713
C 0.804411 -3.630548 -1.392599
C 5.128098 1.723508 0.063038
C 5.470622 -0.627481 -0.341509
C -2.033010 -3.118809 -1.246836
C -0.114382 -4.273406 -0.340295
C 2.266991 0.073984 0.044374
C 0.647588 -1.165826 -1.134311
C 0.328621 1.120804 -0.724442
C -2.891169 1.116270 0.527006
C -3.133017 2.111798 1.488812
C -2.512515 -0.168831 0.944204
C -2.990453 1.845148 2.842287
C -2.361871 -0.467738 2.290345
C -2.600271 0.544474 3.256035
H 3.302286 2.230759 1.176197
H 4.526424 1.342191 2.135446
H 4.886731 -1.129313 1.710279
H 3.912336 -1.956047 0.455216
H -1.590360 -1.407621 -2.532854
H -1.139300 -2.993038 -3.247674
H 0.862223 -4.271689 -2.302480
H 1.842163 -3.519202 -1.004869
H 5.770073 2.576751 0.346387
H 4.683255 1.898927 -0.932244
H 5.044552 -0.583159 -1.359321
H 6.336582 -1.313180 -0.323274
H -2.187510 -2.477908 -0.353444
H -3.012193 -3.426575 -1.658601
H 0.147616 -5.328809 -0.144860
H -0.120836 -3.703581 0.604995
H -0.087945 3.161362 -0.648963
H -1.289001 1.975561 -2.639374
H -3.444439 3.113141 1.165607
H -2.333630 -0.958394 0.192181
H -3.184471 2.621040 3.576459
H -2.072697 -1.466669 2.601301
H -2.518421 0.986384 5.292924
H -2.081742 -0.614371 4.910998


%chk=000247248-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247248

0 1
S -3.482746 1.236879 -1.000511
O 6.037405 0.638455 0.996580
O -1.288129 -4.892610 -1.699059
O -4.740510 2.284527 -1.023212
O -3.694754 -0.318996 -1.513363
N 3.236905 0.191749 0.569743
N 0.117033 -2.394185 -1.856629
N 1.720739 -1.143425 -0.645091
N -0.226697 -0.082240 -1.643110
N 1.318207 1.246557 -0.302223
N -0.615985 2.182521 -1.279674
N -1.732412 2.180230 -2.071535
N -1.677084 0.990893 4.798367
C 3.696022 1.462626 1.167042
C 4.137740 -0.956254 0.792797
C -1.186238 -2.547980 -2.549133
C 0.865368 -3.651186 -1.655058
C 5.132588 1.762612 0.694198
C 5.562386 -0.587286 0.330631
C -2.024563 -3.619379 -1.825867
C -0.040514 -4.682592 -0.949999
C 2.067905 0.089009 -0.146799
C 0.555198 -1.189133 -1.374206
C 0.204902 1.057847 -1.054822
C -2.880305 1.167445 0.776605
C -3.154270 2.262810 1.618540
C -2.218044 0.015172 1.239301
C -2.750284 2.203475 2.963672
C -1.817435 -0.044951 2.584909
C -2.072644 1.050371 3.466519
H 2.997673 2.260059 0.870104
H 3.686764 1.365434 2.271592
H 4.154588 -1.198734 1.874733
H 3.744438 -1.820750 0.235922
H -1.721755 -1.585958 -2.538057
H -0.999724 -2.859892 -3.595524
H 1.168820 -4.047958 -2.644364
H 1.764973 -3.432232 -1.058996
H 5.551592 2.629059 1.231271
H 5.136084 1.964670 -0.398638
H 5.575309 -0.446241 -0.771765
H 6.283441 -1.372340 0.611082
H -2.318328 -3.250143 -0.819971
H -2.932560 -3.855621 -2.401830
H 0.449119 -5.669421 -0.905281
H -0.271249 -4.335174 0.081247
H -0.416207 3.038468 -0.757997
H -1.643015 1.321797 -2.674191
H -3.707960 3.124014 1.229311
H -2.049718 -0.826607 0.559390
H -2.967582 3.042371 3.635266
H -1.310158 -0.940221 2.963410
H -1.878619 1.755038 5.436929
H -1.218010 0.164520 5.170544


