%chk=000210347.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210347

0 1
S -6.953482 -0.312918 -1.251043
S -7.763140 0.625570 0.389800
O -6.709499 1.932003 0.438894
O -9.034327 1.174345 0.055520
O -7.512910 -0.144287 1.558905
N -3.053781 -0.505793 -0.112314
C 4.409298 0.169530 0.916228
C 5.542565 1.215737 0.958074
C 4.809595 -1.143062 0.211421
C 3.138497 0.766034 0.272206
C 6.043807 1.746112 -0.390590
C 6.141656 -1.735002 0.697459
C 6.729733 0.707735 -1.291263
C 7.280541 -1.611036 -0.326614
C 7.763312 -0.173151 -0.571966
C 1.881674 -0.055355 0.587735
C 0.630661 0.569961 -0.044791
C -0.623519 -0.254891 0.269223
C -1.872650 0.378351 -0.364304
C -4.327960 0.120635 -0.585386
C -5.388623 -0.978295 -0.597098
H 4.172255 -0.080509 1.982845
H 6.400362 0.778932 1.512025
H 5.203839 2.076428 1.568891
H 4.855413 -0.969243 -0.884972
H 4.002104 -1.885467 0.357994
H 2.999530 1.804900 0.628781
H 3.275383 0.844426 -0.822938
H 5.201490 2.199678 -0.948525
H 6.753379 2.575223 -0.192889
H 6.448921 -1.262634 1.650694
H 5.996410 -2.807088 0.935059
H 5.950894 0.063660 -1.754447
H 7.217758 1.236107 -2.132351
H 8.139360 -2.218186 0.023599
H 6.967789 -2.066618 -1.286274
H 8.691769 -0.210225 -1.174509
H 8.055185 0.289967 0.390638
H 2.008018 -1.093582 0.222777
H 1.750065 -0.136072 1.683971
H 0.503996 1.607421 0.320362
H 0.765628 0.649224 -1.141154
H -0.503345 -1.291601 -0.107058
H -0.751819 -0.347456 1.364651
H -1.738763 0.457395 -1.466615
H -2.013616 1.412771 0.017191
H -3.125766 -0.710090 0.891661
H -4.174231 0.519903 -1.614342
H -4.652570 0.986059 0.040482
H -5.087382 -1.813029 -1.268846
H -5.537683 -1.431413 0.405221
H -7.100021 2.813895 0.557285


%chk=000210347-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210347

0 1
S -7.023336 -0.161344 -1.482607
S -8.128642 0.173241 0.721971
O -8.148391 2.036080 0.688746
O -9.666033 -0.313872 0.857362
O -7.059953 -0.300343 1.852442
N -3.074765 -0.119978 -0.268343
C 4.493538 0.226752 0.904150
C 5.677273 1.233802 0.891960
C 4.840321 -1.209379 0.404673
C 3.255074 0.800464 0.161561
C 6.277798 1.651795 -0.473216
C 6.187952 -1.804552 0.909347
C 6.979593 0.543772 -1.306606
C 7.367130 -1.763539 -0.100388
C 7.943052 -0.379213 -0.503768
C 1.945032 0.012063 0.393429
C 0.704926 0.714371 -0.204691
C -0.602875 -0.074216 0.028685
C -1.844624 0.651215 -0.524380
C -4.343207 0.414510 -0.774698
C -5.397695 -0.708476 -0.743440
H 4.207884 0.123834 1.976490
H 6.490546 0.838608 1.531817
H 5.327970 2.158366 1.398838
H 4.823772 -1.231016 -0.703351
H 4.017175 -1.877441 0.725655
H 3.098128 1.849168 0.492864
H 3.465307 0.846445 -0.927328
H 5.495947 2.130338 -1.096713
H 7.026320 2.444938 -0.266627
H 6.488415 -1.309488 1.855077
H 6.028487 -2.870480 1.169382
H 6.227751 -0.082402 -1.823992
H 7.548104 1.050707 -2.112011
H 8.197316 -2.366529 0.323219
H 7.048479 -2.289014 -1.025702
H 8.845571 -0.572756 -1.117706
H 8.303683 0.152150 0.400689
H 2.028843 -1.003572 -0.042028
H 1.793497 -0.126566 1.485199
H 0.611157 1.727789 0.238781
H 0.857442 0.863555 -1.294009
H -0.532627 -1.074360 -0.441710
H -0.733252 -0.243456 1.119058
H -1.745379 0.784339 -1.620419
H -1.898521 1.677413 -0.083613
H -3.134248 -0.498847 0.685573
H -4.183271 0.754376 -1.815896
H -4.728330 1.290569 -0.202729
H -5.063179 -1.605786 -1.295851
H -5.608042 -1.008570 0.305455
H -8.881315 2.329532 1.308702


