%chk=000132494.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000132494

0 1
S -2.573763 3.382665 1.851693
S 4.722056 -1.882017 2.456240
O -1.745751 2.021642 -1.229958
O -3.480993 2.006178 1.855142
O -3.301452 4.360074 1.114219
O -2.086513 3.601888 3.183125
O 2.945199 1.656598 -1.453016
O 2.157415 -1.097471 -2.996083
O -2.468925 0.263720 -4.145223
O -0.747100 -2.367687 3.335459
O -2.457831 -0.231321 2.922266
O -0.683397 -0.631035 -5.167237
N -1.217458 2.868212 0.936657
N 1.128598 0.947712 -0.222654
N 2.721225 -1.566878 -1.808614
N 0.054166 -2.609507 -1.344365
N -2.001044 -0.764081 -1.784458
N 2.364952 -1.363662 1.436167
N 2.286395 -2.009510 3.756361
C 0.241848 2.823872 1.352946
C 0.553152 2.276130 -0.095077
C -0.992119 2.317631 -0.352783
C 0.523240 1.930488 2.533346
C 2.349649 0.768165 -0.888427
C 2.810371 -0.688167 -0.860133
C 3.351167 -1.138599 0.444197
C -0.024992 -1.934187 -2.576778
C -0.671252 -2.151073 -0.229400
C 1.181460 -2.077632 -3.474812
C -1.718604 -1.108352 -0.473545
C -1.084188 -1.093879 -2.819783
C 4.647392 -1.362196 0.793470
C -0.423249 -2.612574 1.019452
C -2.350238 -0.532978 0.591221
C -1.046668 -2.033279 2.210551
C -2.046541 -0.863193 1.964382
C -1.329888 -0.495564 -4.153152
C 2.933650 -1.771857 2.580351
H 0.645141 3.849157 1.517420
H 1.104848 3.013151 -0.733497
H 0.084169 0.928566 2.449557
H 1.602432 1.803749 2.695025
H 0.103426 2.367343 3.460622
H 0.787111 0.232348 0.429697
H -3.272609 1.312316 2.568136
H 1.010706 -1.707971 -4.518145
H 1.607439 -3.095504 -3.506319
H 0.860741 -3.224123 -1.173346
H -2.671710 0.002773 -1.976322
H 5.534875 -1.256918 0.190852
H 0.321720 -3.385914 1.219288
H -3.112459 0.248455 0.454043
H 2.753644 -2.503104 4.502125
H 1.261724 -2.066618 3.763110
H -2.641369 0.705718 -5.027196


%chk=000132494-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000132494

0 1
S -2.765427 3.325335 1.906624
S 4.709532 -2.351231 2.393138
O -1.509505 1.847729 -1.196655
O -3.750586 1.886700 1.961278
O -3.499918 4.362925 0.930586
O -2.216429 3.794541 3.351125
O 2.668788 1.610655 -1.809092
O 2.193831 -0.984827 -3.040691
O -2.649265 0.140617 -4.229440
O -0.538899 -1.921840 3.280566
O -2.652703 -0.180806 2.773620
O -0.816370 -0.742548 -5.374842
N -1.182977 2.688240 1.075466
N 1.425028 1.060191 0.110769
N 2.771045 -1.542281 -1.793814
N 0.133109 -2.446535 -1.430502
N -2.026693 -0.879287 -1.940866
N 2.481166 -1.116544 1.552041
N 2.277705 -1.962037 3.778870
C 0.243577 2.845289 1.584970
C 0.684325 2.302688 0.167150
C -0.855582 2.212508 -0.202496
C 0.584295 2.033329 2.832360
C 2.331809 0.795619 -0.907469
C 2.863174 -0.640566 -0.831842
C 3.375953 -1.165312 0.460598
C -0.001283 -1.928542 -2.713323
C -0.661425 -2.094078 -0.340440
C 1.243613 -2.010802 -3.573600
C -1.799687 -1.197848 -0.621781
C -1.142660 -1.171464 -2.986201
C 4.600187 -1.759533 0.690967
C -0.353151 -2.466192 0.955830
C -2.550661 -0.661316 0.422816
C -0.989464 -1.814180 2.086165
C -2.147820 -0.858320 1.783643
C -1.462057 -0.599831 -4.310937
C 2.972115 -1.724652 2.632722
H 0.498228 3.909499 1.724411
H 1.183563 3.055992 -0.465996
H 0.271527 0.977710 2.749811
H 1.673210 2.065093 3.017919
H 0.067187 2.465249 3.705182
H 1.369581 0.362363 0.878023
H -3.279416 0.992197 2.427035
H 1.043940 -1.703851 -4.608259
H 1.719645 -3.007845 -3.533312
H 1.020960 -2.926946 -1.231930
H -2.754405 -0.186285 -2.163610
H 5.444087 -1.866126 0.014347
H 0.499178 -3.118367 1.167734
H -3.361131 0.045832 0.218080
H 2.731398 -2.369549 4.592906
H 1.240328 -1.895462 3.754055
H -2.854774 0.576403 -5.096913


