%chk=000298640.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298640

0 1
S -1.244166 0.153170 -1.379833
O 2.272199 3.426581 -0.658003
O -0.370139 -0.919759 -0.913941
O -1.478013 0.299458 -2.804668
O 1.599257 -2.277828 0.579629
O 0.200997 -0.905854 1.722962
N 3.939842 1.881556 -0.468745
N -0.586648 1.660949 -0.887211
C 1.638973 1.273827 0.186418
C 0.209362 1.734839 0.355609
C 2.093514 0.017303 0.483260
C 2.556353 2.284309 -0.333129
C 4.374062 0.595141 -0.145064
C 3.464929 -0.326998 0.327568
C -2.736679 0.055809 -0.533036
C 4.896674 2.890733 -0.986708
C 5.815585 0.252897 -0.322499
C 1.156299 -1.048365 0.986990
C -3.908551 0.540766 -1.126332
C -2.784693 -0.507729 0.747436
C -5.174050 -0.094990 0.843240
C -5.122701 0.467365 -0.445056
C -3.996158 -0.582794 1.434702
C -6.468965 -0.158491 1.582006
C 0.659911 -3.378665 0.746725
H 0.208386 2.804426 0.693287
H -0.294788 1.155580 1.169005
H -0.212342 2.280785 -1.621352
H 3.776794 -1.346245 0.560231
H 4.360381 3.845628 -1.186858
H 5.349288 2.560103 -1.935157
H 5.689350 3.101566 -0.251794
H 6.472091 0.896692 0.282631
H 6.133536 0.347014 -1.372926
H 6.029712 -0.785833 -0.023663
H -3.874672 0.972971 -2.133222
H -1.866690 -0.898743 1.215942
H -6.029730 0.846364 -0.911168
H -4.024554 -1.018741 2.431503
H -6.630110 0.765061 2.160455
H -7.331350 -0.270869 0.910293
H -6.507250 -0.993743 2.294979
H 1.257162 -4.245692 0.451445
H -0.180630 -3.204667 0.059840
H 0.324025 -3.433787 1.785309


%chk=000298640-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298640

0 1
S -1.183230 0.638744 -1.455248
O 2.090031 3.340520 -0.612494
O -0.278074 -0.709304 -1.249577
O -1.464712 1.247614 -2.939926
O 1.872441 -2.429199 1.020105
O 0.273142 -1.019520 1.928764
N 3.862371 1.790495 -0.590306
N -0.531335 2.070451 -0.472539
C 1.680926 1.191441 0.406097
C 0.278401 1.696018 0.721853
C 2.180681 -0.092514 0.653561
C 2.517402 2.177292 -0.279429
C 4.356217 0.515405 -0.317533
C 3.527285 -0.422207 0.285202
C -2.835270 0.336107 -0.604330
C 4.701807 2.808630 -1.263352
C 5.781027 0.194997 -0.702672
C 1.330804 -1.168845 1.266888
C -3.963213 0.982963 -1.132342
C -2.883527 -0.531392 0.498419
C -5.314555 -0.111679 0.617310
C -5.208087 0.744732 -0.511255
C -4.141571 -0.745128 1.105750
C -6.654484 -0.329991 1.296642
C 1.061639 -3.575466 1.492070
H 0.357694 2.638368 1.297428
H -0.277359 0.969695 1.330464
H 0.000638 2.683105 -1.125168
H 3.902099 -1.428633 0.467757
H 4.117842 3.740712 -1.289850
H 4.935208 2.501966 -2.297971
H 5.641155 2.966900 -0.708203
H 6.508398 0.827267 -0.159140
H 5.959506 0.344872 -1.783677
H 6.000598 -0.856890 -0.463979
H -3.865642 1.630448 -2.009785
H -1.979635 -1.028945 0.864910
H -6.107399 1.229814 -0.908238
H -4.209609 -1.415211 1.970560
H -6.841079 0.452606 2.057489
H -7.487538 -0.287966 0.573325
H -6.695336 -1.305340 1.811600
H 1.659615 -4.462523 1.241554
H 0.094765 -3.587159 0.961906
H 0.885769 -3.502150 2.578459


