%chk=000210292.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210292

0 1
S -8.051053 -0.749901 0.682967
S -8.607484 0.600475 -0.764703
O -7.528978 0.106770 -1.953071
O -9.900298 0.270754 -1.263372
O -8.215860 1.911637 -0.377920
N -4.037405 -0.096765 0.763152
C 6.038212 -0.304604 0.146178
C 6.221236 1.066836 -0.536475
C 7.203323 -1.267485 -0.161374
C 4.708912 -0.959142 -0.295614
C 7.260491 1.942330 0.175746
C 8.576346 -0.724584 0.258281
C 8.695435 1.781783 -0.346788
C 9.110416 0.346874 -0.702104
C 3.486950 -0.252209 0.305350
C 2.176021 -0.889676 -0.174013
C 0.955642 -0.183656 0.432088
C -0.355799 -0.820142 -0.048055
C -1.573109 -0.113732 0.561052
C -2.882796 -0.754246 0.074071
C -5.350284 -0.582195 0.233508
C -6.426501 -0.118031 1.212822
H 6.001887 -0.146736 1.252255
H 6.497677 0.929213 -1.597764
H 5.248907 1.599224 -0.548786
H 7.023859 -2.228516 0.359392
H 7.213600 -1.509665 -1.241321
H 4.641068 -0.962104 -1.399686
H 4.700548 -2.024236 0.005949
H 6.967679 3.006457 0.079494
H 7.240800 1.729528 1.263074
H 8.529637 -0.324041 1.288513
H 9.295310 -1.566371 0.297256
H 8.830580 2.417596 -1.244140
H 9.392217 2.186054 0.414004
H 10.216538 0.295125 -0.729272
H 8.778457 0.114509 -1.733338
H 3.540585 -0.284509 1.410666
H 3.505720 0.822836 0.035126
H 2.122461 -0.853348 -1.279152
H 2.160821 -1.963998 0.092989
H 0.972747 0.891138 0.167048
H 1.009736 -0.221653 1.537521
H -0.408631 -0.782370 -1.153342
H -0.370232 -1.894836 0.219352
H -1.553011 0.963275 0.306725
H -1.528040 -0.160947 1.668593
H -2.947956 -0.698931 -1.034149
H -2.898681 -1.834213 0.343791
H -3.977007 0.921731 0.645208
H -5.329628 -1.695185 0.181493
H -5.567324 -0.224877 -0.801507
H -6.238401 -0.525804 2.231229
H -6.447106 0.986169 1.324787
H -7.880232 -0.010001 -2.851537


%chk=000210292-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210292

0 1
S -8.167495 -0.929879 0.830134
S -8.947356 0.912884 -0.649848
O -8.901578 -0.047412 -2.246234
O -10.467863 1.428615 -0.447747
O -7.750399 2.013110 -0.688262
N -4.100009 -0.273891 0.510481
C 6.159612 -0.212619 0.201167
C 6.367941 1.172658 -0.475511
C 7.327222 -1.207152 -0.037142
C 4.823546 -0.871124 -0.249198
C 7.473229 2.039557 0.183248
C 8.756962 -0.715360 0.303612
C 8.915123 1.821878 -0.350894
C 9.301122 0.354026 -0.679085
C 3.544889 -0.206186 0.310632
C 2.248410 -0.913511 -0.145680
C 0.965662 -0.251559 0.405481
C -0.331026 -0.953293 -0.057383
C -1.609150 -0.273467 0.482335
C -2.900086 -0.967082 0.006324
C -5.410849 -0.851831 0.192642
C -6.472916 -0.186496 1.087086
H 6.092287 -0.029444 1.297818
H 6.582343 1.029720 -1.555503
H 5.411501 1.728872 -0.423291
H 7.114501 -2.123601 0.552224
H 7.315252 -1.519022 -1.104257
H 4.780580 -0.874666 -1.359587
H 4.827000 -1.937274 0.061676
H 7.224735 3.112895 0.061047
H 7.450547 1.849633 1.275685
H 8.792636 -0.333367 1.344910
H 9.430193 -1.595777 0.276573
H 9.060877 2.429681 -1.266921
H 9.624074 2.225537 0.400274
H 10.406931 0.291987 -0.723344
H 8.943370 0.094626 -1.696350
H 3.591211 -0.205618 1.420029
H 3.500103 0.857631 0.000717
H 2.208675 -0.922485 -1.255224
H 2.279874 -1.976945 0.171946
H 0.938965 0.812177 0.088625
H 1.003693 -0.244219 1.514733
H -0.360682 -0.969754 -1.166847
H -0.309844 -2.013630 0.270043
H -1.620804 0.787792 0.153708
H -1.595619 -0.262576 1.589518
H -2.895817 -1.029601 -1.110110
H -2.925986 -2.010394 0.379756
H -4.060736 0.747976 0.401859
H -5.368597 -1.938361 0.399743
H -5.711328 -0.736048 -0.874911
H -6.228218 -0.278306 2.161484
H -6.557577 0.894173 0.844235
H -9.521130 0.418131 -2.884222


