%chk=000187455.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187455

0 1
S -0.099525 2.174313 -0.517494
O 0.290594 -1.423004 1.166668
O 0.788449 -1.195363 -1.030100
O -3.628319 -1.423362 0.007815
O 4.380909 0.682171 1.108695
O -4.454638 0.516800 -0.820652
N 2.650350 0.826582 -0.362759
C 1.659292 0.421085 0.645536
C 0.694314 1.555842 0.991173
C -1.857347 1.761594 -0.322020
C 0.894291 -0.794091 0.101111
C -2.055182 0.258729 -0.326726
C 4.012771 0.913000 -0.029570
C -3.505103 -0.118215 -0.435326
C 4.912379 1.308610 -1.161222
C -0.463927 -2.636911 0.892060
C -4.949168 -2.022795 -0.063286
H 2.206877 0.104612 1.592344
H -0.041439 1.230997 1.751297
H 1.255898 2.402266 1.444868
H -2.275114 2.229584 0.589583
H -2.380358 2.242107 -1.181080
H 2.303845 0.986190 -1.309004
H -1.503480 -0.219212 -1.178505
H -1.622098 -0.207178 0.591560
H 4.657239 2.292761 -1.577904
H 5.956102 1.367895 -0.808294
H 4.893028 0.580775 -1.984791
H -1.497289 -2.349512 0.656350
H -0.014368 -3.196763 0.064477
H -0.398446 -3.185917 1.837311
H -4.882281 -2.854731 0.644794
H -5.113046 -2.369462 -1.088123
H -5.717512 -1.297997 0.229416


%chk=000187455-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187455

0 1
S 0.021684 1.874162 -0.811572
O 0.278881 -1.690876 0.724349
O 1.603716 -1.645816 -1.200526
O -4.010047 -1.324603 0.121319
O 3.955925 1.756967 1.366510
O -4.613670 0.920401 -0.066944
N 2.949269 0.562509 -0.342798
C 1.855864 0.109395 0.521327
C 0.810214 1.222620 0.790940
C -1.813788 1.685575 -0.387026
C 1.254428 -1.152314 -0.104628
C -2.257477 0.216610 -0.415846
C 3.958642 1.367582 0.155733
C -3.734320 0.031995 -0.109369
C 5.050433 1.756068 -0.833001
C -0.387464 -2.947123 0.279525
C -5.432549 -1.651293 0.395430
H 2.280330 -0.158531 1.511405
H 0.010445 0.843113 1.446970
H 1.325720 2.061479 1.283450
H -1.995836 2.152459 0.594769
H -2.342345 2.283321 -1.146900
H 2.966313 0.195821 -1.298298
H -2.054056 -0.218261 -1.413948
H -1.671647 -0.383590 0.301863
H 4.939471 1.275564 -1.819882
H 5.041858 2.851727 -0.967891
H 6.032462 1.487022 -0.408287
H -1.472139 -2.772315 0.353716
H -0.090144 -3.185331 -0.754267
H -0.072967 -3.745093 0.970193
H -5.449458 -2.740850 0.537323
H -6.063958 -1.351107 -0.457516
H -5.776093 -1.125887 1.302078


