%chk=000291694.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291694

0 1
I 3.320158 -2.963281 -3.086898
S 0.078658 2.199019 -1.880139
O -0.114319 -1.087299 -0.464089
O 0.859007 1.111006 1.721920
O 3.494110 -0.950672 -0.242643
O -3.669756 0.376421 -1.370032
O 3.076889 1.415017 2.069563
O -5.385171 -1.002515 2.641322
O 3.944798 1.044899 -1.199300
N -2.166228 -0.202744 0.283595
N -4.540626 -0.330389 0.651574
C 1.058226 0.886211 0.290537
C 1.161098 -0.639964 0.071182
C -0.269370 1.312771 -0.338897
C -1.020253 0.008384 -0.661133
C 2.235863 -1.036222 -0.973424
C 2.100783 -2.486307 -1.380544
C -1.946224 -0.604167 1.614327
C -3.489932 -0.032555 -0.236099
C -1.578764 2.830956 -2.332620
C 1.956997 1.407488 2.516087
C -2.975429 -0.872708 2.458394
C -1.431126 3.391318 -3.729525
C -4.373417 -0.772793 2.017090
C 4.290496 0.175907 -0.436922
C 1.478932 1.671825 3.897126
C -2.752130 -1.281281 3.874468
C 5.478094 0.074198 0.442736
H 1.958510 1.458073 -0.045237
H 1.302172 -1.195343 1.023829
H -0.837744 1.968816 0.366614
H -1.398135 -0.102572 -1.712856
H 2.248741 -0.333987 -1.844691
H 2.413538 -3.170108 -0.572786
H 1.054411 -2.727090 -1.652519
H -0.891431 -0.674053 1.919593
H -2.334600 2.016048 -2.296671
H -1.896592 3.605533 -1.611279
H -5.501332 -0.231629 0.289542
H -2.388991 3.797654 -4.087348
H -1.122485 2.626547 -4.457517
H -0.698060 4.208656 -3.782437
H 1.740022 2.698474 4.208240
H 1.956825 0.988580 4.618411
H 0.386788 1.564499 4.000838
H -2.388554 -0.442481 4.483846
H -2.029364 -2.104061 3.956691
H -3.688925 -1.631683 4.344013
H 5.280829 0.619212 1.388667
H 6.362612 0.532325 -0.025641
H 5.722701 -0.965530 0.710441


%chk=000291694-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291694

0 1
I 3.318165 -2.678748 -3.414023
S 0.244837 2.075076 -1.870682
O -0.072517 -1.218129 -0.140462
O 0.841776 0.958200 1.951585
O 3.628406 -0.864170 -0.467611
O -3.563456 -0.125555 -1.600470
O 3.146881 1.015193 2.308697
O -5.661042 -0.821780 2.517787
O 3.855848 1.343825 -1.199949
N -2.215523 -0.259859 0.335323
N -4.557310 -0.484370 0.488710
C 1.099111 0.796488 0.482946
C 1.284771 -0.702377 0.148822
C -0.198254 1.211392 -0.238798
C -0.988262 -0.112869 -0.479050
C 2.259761 -0.949387 -1.045783
C 2.093300 -2.356561 -1.604439
C -2.136569 -0.411590 1.724923
C -3.456161 -0.285310 -0.350485
C -1.506983 2.626644 -2.389352
C 1.986146 1.077746 2.766544
C -3.234442 -0.598102 2.529611
C -1.412632 3.317818 -3.756410
C -4.566782 -0.651656 1.907577
C 4.330297 0.353108 -0.603611
C 1.600934 1.294267 4.211217
C -3.146538 -0.760582 4.026852
C 5.659006 0.268219 0.099376
H 1.973628 1.407602 0.208771
H 1.665210 -1.268651 1.017112
H -0.773404 1.924043 0.374592
H -1.312012 -0.213101 -1.527490
H 2.137248 -0.174793 -1.825344
H 2.428195 -3.123419 -0.890073
H 1.054522 -2.538110 -1.911724
H -1.123835 -0.369257 2.132127
H -2.160379 1.738651 -2.429997
H -1.875136 3.317802 -1.610627
H -5.469605 -0.510610 0.021399
H -2.416388 3.658970 -4.069108
H -1.033937 2.625866 -4.529118
H -0.747239 4.198728 -3.723013
H 1.963092 2.285080 4.537617
H 2.100360 0.540519 4.843465
H 0.511760 1.242586 4.351966
H -3.731833 0.022694 4.541891
H -2.100516 -0.711050 4.375377
H -3.578786 -1.727900 4.340617
H 5.489497 0.480662 1.170999
H 6.345533 1.024523 -0.308831
H 6.093557 -0.739361 0.009943


