%chk=000275423.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000275423

0 1
S -2.223491 0.861237 0.407371
O -0.711729 2.925009 0.868653
O -2.219052 1.801093 -0.701976
O -2.372436 1.316493 1.780198
O 0.448166 4.925170 -0.977859
N -0.789791 -0.122386 0.377511
N 3.996104 -0.534346 -0.734349
C 1.874553 -1.306380 0.135961
C 1.314800 -0.780773 1.461314
C 0.385598 0.407332 1.131063
C 0.728457 -1.735410 -0.799882
C 2.768621 -0.163310 -0.448775
C -0.399905 -0.695991 -0.945310
C 2.910360 -2.411346 0.236354
C 1.083862 1.470558 0.285368
C 2.222515 1.188070 -0.496335
C 4.125631 -1.918860 -0.345158
C 0.490894 2.736240 0.190003
C 2.843449 -3.700121 0.723954
C 2.798017 2.194448 -1.294239
C 5.255088 -2.717294 -0.443977
C -3.447464 -0.318658 0.074656
C 1.002001 3.706870 -0.702362
C 2.195174 3.442161 -1.406035
C 3.993429 -4.510928 0.630198
C 5.169508 -4.030249 0.055240
C -4.144434 -0.278456 -1.138138
C -3.758762 -1.295750 1.024894
C -0.559577 3.524111 2.188437
C -5.140894 -1.215684 -1.407031
C -4.754774 -2.238080 0.763060
C -5.454129 -2.203156 -0.455336
C -0.986773 5.067399 -0.752187
C -6.511801 -3.214805 -0.745183
H 2.126070 -0.464605 2.142631
H 0.750225 -1.571053 1.991277
H 0.011586 0.862930 2.090703
H 0.302027 -2.681089 -0.406139
H 1.132622 -1.972058 -1.804004
H -0.082337 0.102621 -1.657756
H -1.291789 -1.194969 -1.387009
H 1.932692 -4.088438 1.172911
H 3.714695 1.974441 -1.849581
H 6.173071 -2.337636 -0.887600
H 2.608297 4.215545 -2.052234
H 3.956703 -5.528543 1.014767
H 6.043637 -4.677698 -0.009124
H -3.909545 0.497370 -1.877807
H -3.225095 -1.322975 1.980538
H -0.366678 4.592685 2.074090
H 0.230191 3.031727 2.757495
H -1.548540 3.318204 2.630585
H -5.679365 -1.179198 -2.351865
H -4.991554 -2.996455 1.506414
H -1.519667 4.116350 -0.927023
H -1.260504 5.829572 -1.487511
H -1.139266 5.408204 0.274494
H -6.996523 -3.591564 0.166367
H -7.309143 -2.816384 -1.388400
H -6.084622 -4.086290 -1.265722


%chk=000275423-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000275423

0 1
S -2.413053 0.880509 0.417184
O -0.517703 3.188948 1.082277
O -2.536064 1.945259 -0.823546
O -2.649074 1.308932 1.971013
O 0.681311 5.137704 -0.735878
N -0.820479 -0.175548 0.422381
N 3.907044 -0.575326 -0.854356
C 1.836079 -1.284096 0.179103
C 1.269959 -0.706732 1.504478
C 0.337810 0.481457 1.135516
C 0.643303 -1.740095 -0.734009
C 2.688187 -0.181824 -0.480144
C -0.451619 -0.661491 -0.933801
C 2.865210 -2.402046 0.252482
C 1.063125 1.532779 0.282930
C 2.194485 1.190974 -0.523862
C 4.033962 -1.942781 -0.431021
C 0.590265 2.864424 0.270439
C 2.805140 -3.704043 0.768302
C 2.840987 2.196998 -1.294381
C 5.156055 -2.776701 -0.600590
C -3.631371 -0.507786 0.022014
C 1.169360 3.838825 -0.593436
C 2.325835 3.500278 -1.342628
C 3.938308 -4.547530 0.610784
C 5.095032 -4.088140 -0.067769
C -4.241206 -0.520832 -1.241528
C -3.925519 -1.440416 1.029683
C -0.187669 3.915279 2.324586
C -5.184193 -1.539404 -1.508525
C -4.869440 -2.449079 0.738391
C -5.504359 -2.518586 -0.531644
C -0.794621 5.335878 -0.762702
C -6.495905 -3.625608 -0.840262
H 2.091712 -0.355676 2.155241
H 0.683146 -1.465838 2.051693
H -0.089781 0.944397 2.040907
H 0.180456 -2.624434 -0.256539
H 1.026988 -2.051147 -1.723408
H -0.094974 0.149956 -1.599007
H -1.337655 -1.129063 -1.398711
H 1.913557 -4.072343 1.289964
H 3.724705 1.918797 -1.876095
H 6.044015 -2.409374 -1.124143
H 2.773404 4.272292 -1.975786
H 3.918980 -5.564322 1.018629
H 5.955137 -4.758099 -0.179112
H -3.998391 0.255936 -1.974392
H -3.447424 -1.365420 2.010968
H 0.234201 4.913769 2.098596
H 0.537024 3.341612 2.934860
H -1.141757 4.007586 2.863509
H -5.679784 -1.569533 -2.485745
H -5.120786 -3.187978 1.508185
H -1.316822 4.421228 -1.089340
H -0.949804 6.162032 -1.475093
H -1.161405 5.621812 0.236945
H -7.048187 -3.939500 0.062513
H -7.231104 -3.311497 -1.601067
H -5.976225 -4.520471 -1.234454


