%chk=000228249.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228249

0 1
S 0.757741 -2.498967 -1.985814
O 2.998981 1.723398 -3.017441
O -2.935982 0.218298 -0.188580
O -3.484217 -1.979112 -0.258449
N 1.919562 -0.015006 -1.971218
N -0.370245 -0.297590 -1.096980
N 0.706205 1.690069 -3.213804
N -1.582181 -3.754966 -1.302254
C 3.003329 0.156962 0.320707
C 2.968370 1.692370 0.435425
C 4.179674 -0.420616 1.134604
C 2.896279 2.135036 1.902731
C 4.097793 0.020345 2.602670
C 4.054715 1.550092 2.722207
C 3.142778 -0.291424 -1.150872
C 0.755998 -0.696114 -1.614607
C 1.922533 1.210938 -2.745814
C -1.318836 -1.320844 -0.970925
C -0.888590 -2.599956 -1.368506
C 0.688381 2.894822 -4.069994
C -2.657749 -1.092699 -0.443013
C -4.218019 0.277313 1.880202
C -4.253207 0.525584 0.376261
C -5.471072 0.837512 2.563086
C -5.446981 0.585003 4.068495
H 2.048991 -0.249078 0.739155
H 3.862165 2.130393 -0.049650
H 2.097335 2.092563 -0.117228
H 4.180212 -1.524369 1.076223
H 5.140719 -0.084528 0.700047
H 2.912656 3.239320 1.960639
H 1.929564 1.819941 2.341159
H 3.197782 -0.417158 3.076161
H 4.964124 -0.378215 3.162421
H 5.013202 1.979937 2.373216
H 3.953894 1.843797 3.783109
H 3.356463 -1.380616 -1.211690
H 4.000640 0.231972 -1.642904
H -0.193138 1.349330 -2.882860
H 0.127130 2.687039 -4.996704
H 0.219530 3.744266 -3.545159
H 1.717340 3.196163 -4.352999
H -4.126919 -0.811785 2.074504
H -3.303790 0.732494 2.311788
H -4.343663 1.593888 0.109360
H -5.019494 -0.077518 -0.140541
H -2.535857 -3.743902 -0.919876
H -1.210847 -4.628720 -1.631537
H -5.554378 1.925276 2.369187
H -6.378008 0.376938 2.122789
H -5.402779 -0.486368 4.297492
H -6.344580 0.986809 4.552042
H -4.578855 1.056282 4.543939


%chk=000228249-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228249

0 1
S 1.085416 -2.323080 -0.481635
O 2.431521 2.264445 -2.470906
O -3.377942 -0.023751 -0.516253
O -3.528768 -2.256302 0.188768
N 1.692527 0.298993 -1.397469
N -0.599508 -0.252920 -0.840363
N 0.146571 2.024341 -2.003059
N -1.227196 -3.710738 0.269222
C 3.674811 0.022959 0.177720
C 3.610174 1.484666 0.687478
C 5.132910 -0.505520 0.221858
C 4.215280 1.616947 2.104177
C 5.743480 -0.372099 1.637606
C 5.668020 1.086400 2.149087
C 3.113835 -0.117339 -1.259367
C 0.681526 -0.533661 -0.945079
C 1.451257 1.608749 -2.003053
C -1.391286 -1.336114 -0.418496
C -0.687983 -2.534345 -0.167284
C -0.237822 3.305213 -2.600974
C -2.828007 -1.265678 -0.217255
C -5.143299 0.521283 1.163719
C -4.847533 0.116388 -0.286663
C -6.653831 0.768616 1.389781
C -6.968937 1.187222 2.842161
H 3.068270 -0.607502 0.864514
H 4.160622 2.137746 -0.019593
H 2.561412 1.839114 0.690900
H 5.165853 -1.564244 -0.107020
H 5.749063 0.074855 -0.497086
H 4.183834 2.674762 2.429749
H 3.595503 1.042033 2.823886
H 5.189457 -1.031938 2.337361
H 6.793787 -0.723038 1.630102
H 6.309186 1.729312 1.510986
H 6.070511 1.151115 3.178710
H 3.212004 -1.163472 -1.614408
H 3.680222 0.531850 -1.948603
H -0.559980 1.392526 -1.573942
H -0.925041 3.153693 -3.454374
H -0.738580 3.950091 -1.855281
H 0.670367 3.813653 -2.960999
H -4.791957 -0.278874 1.842105
H -4.573222 1.438238 1.409546
H -5.147377 0.903520 -0.998695
H -5.341470 -0.838915 -0.540321
H -2.248757 -3.687184 0.418395
H -0.672779 -4.545565 0.435443
H -7.009025 1.555349 0.693083
H -7.219602 -0.151717 1.139857
H -6.651963 0.404918 3.556809
H -8.051360 1.358690 2.985738
H -6.439496 2.120907 3.109619


