%chk=000255444.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255444

0 1
S -1.218963 0.627048 0.142671
O 6.130467 1.597633 -1.346416
N 3.914066 0.931483 0.607095
N 2.894641 -1.213264 0.624041
N 0.445949 -1.425272 0.490586
N 1.443675 2.198600 0.086404
N 1.847202 -3.332623 0.660833
C 2.776960 0.154514 0.481224
C 1.485326 0.771945 0.296193
C 5.266518 0.335912 0.566594
C 0.377630 -0.080577 0.326431
C -2.362406 -0.793965 0.179942
C -3.710216 -0.186709 -0.014880
C 5.833971 0.283148 -0.861271
C -4.232258 -0.026322 -1.308880
C -4.465778 0.226782 1.094522
C 1.726991 -1.949250 0.608316
C -5.497699 0.538006 -1.487594
C -5.730554 0.790383 0.908593
C -6.249107 0.946340 -0.380899
H 5.248438 -0.692759 1.004867
H 5.919964 0.951364 1.225954
H 3.849447 1.903659 0.275999
H -2.260156 -1.340914 1.139247
H -2.090165 -1.524419 -0.609587
H 5.088020 -0.086182 -1.594369
H 6.739728 -0.345528 -0.913861
H -3.649641 -0.337980 -2.174755
H -4.065277 0.112313 2.100758
H 0.941177 2.654238 0.848160
H 0.951818 2.415845 -0.780644
H -5.898683 0.660805 -2.492551
H -6.313036 1.109889 1.771344
H -7.234549 1.385371 -0.522932
H 2.729791 -3.726991 0.950067
H 1.020500 -3.877730 0.855351
H 6.855307 2.002408 -0.831555


%chk=000255444-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000255444

0 1
S -1.194116 0.827487 -0.056586
O 6.415160 2.140733 -0.433894
N 3.998795 0.612797 0.027172
N 2.822429 -1.397033 0.448260
N 0.371099 -1.397286 0.450431
N 1.640590 2.083092 -0.303721
N 1.598039 -3.347951 0.860180
C 2.809119 -0.056325 0.159100
C 1.582088 0.675451 -0.019442
C 5.311175 0.008920 0.239082
C 0.395358 -0.068909 0.145215
C -2.421000 -0.597040 0.327677
C -3.831966 -0.105899 0.115699
C 6.358586 0.682061 -0.659387
C -4.427255 -0.148739 -1.172455
C -4.590381 0.405181 1.200833
C 1.600255 -1.998412 0.574288
C -5.750453 0.303327 -1.370255
C -5.914559 0.858020 1.006301
C -6.498772 0.808306 -0.280720
H 5.235973 -1.070131 0.016360
H 5.624568 0.094730 1.305152
H 3.926796 1.626511 -0.117262
H -2.223758 -0.905061 1.365261
H -2.140312 -1.422589 -0.343087
H 6.077455 0.583463 -1.720093
H 7.352965 0.215360 -0.500452
H -3.847317 -0.536172 -2.018694
H -4.138795 0.446043 2.199478
H 1.071557 2.675785 0.309029
H 1.553101 2.345167 -1.291432
H -6.198157 0.261327 -2.369639
H -6.488860 1.246642 1.854850
H -7.526124 1.157875 -0.433286
H 2.484220 -3.832291 0.965644
H 0.710046 -3.828893 0.966312
H 6.761548 2.311652 0.479078


