%chk=000270106.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270106

0 1
S -3.912188 -0.625639 0.133949
O 4.099773 0.484114 -0.337101
O -4.465694 -1.062542 -1.139938
O -4.180728 -1.417078 1.321086
O 2.680246 0.869388 1.423182
N -4.445358 0.982279 0.500247
N 1.937115 0.033714 -0.655757
C 5.266596 0.890467 0.487072
C 5.597674 -0.195675 1.511978
C 6.368984 1.201268 -0.527816
C 5.746954 -1.612375 0.951781
C 6.443927 0.295637 -1.763857
C 6.762348 -1.730178 -0.192650
C 6.196393 -1.197872 -1.515082
C -4.576066 1.892425 -0.673122
C -5.638279 1.054542 1.392580
C -5.868981 1.654227 -1.472024
C -6.964694 0.819741 0.649192
C -7.097569 1.756904 -0.559105
C -2.212175 -0.410256 -0.074642
C 2.877344 0.502600 0.285771
C -1.621725 -0.721693 -1.305700
C -1.418876 0.050314 0.982543
C 0.541896 -0.100936 -0.420016
C -0.251229 -0.571005 -1.493104
C -0.044768 0.212044 0.820078
H 4.952082 1.822172 1.017880
H 4.799195 -0.202337 2.288259
H 6.525996 0.095722 2.044017
H 6.251293 2.248791 -0.875133
H 7.341259 1.166714 0.007942
H 4.756641 -1.972683 0.605407
H 6.041817 -2.290786 1.777303
H 5.703010 0.649610 -2.510034
H 7.439073 0.432769 -2.232351
H 7.700747 -1.206713 0.067154
H 7.040734 -2.795213 -0.317470
H 5.101751 -1.383373 -1.541487
H 6.621845 -1.774841 -2.358734
H -4.552559 2.937781 -0.287367
H -3.684832 1.781273 -1.326884
H -5.517512 0.313789 2.218590
H -5.638946 2.061784 1.866906
H -5.942039 2.378165 -2.301987
H -5.834514 0.645471 -1.944106
H -7.031672 -0.235229 0.313490
H -7.812080 0.966426 1.343611
H -8.011238 1.505136 -1.130114
H -7.226740 2.800514 -0.214412
H -2.245565 -1.090064 -2.131868
H -1.874420 0.288086 1.950571
H 2.296229 -0.227692 -1.581110
H 0.194494 -0.818044 -2.453068
H 0.570032 0.575558 1.651451


%chk=000270106-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270106

0 1
S -4.122459 -0.623493 0.212322
O 4.105398 0.269005 -0.242215
O -4.648127 -1.294397 -1.191309
O -4.452901 -1.342152 1.639193
O 2.690144 0.795515 1.571558
N -4.639814 1.210881 0.460538
N 1.895815 -0.098766 -0.478417
C 5.306760 0.717767 0.547740
C 5.804885 -0.410852 1.476207
C 6.339424 1.254016 -0.461866
C 6.184307 -1.758212 0.821346
C 6.573970 0.441786 -1.764767
C 7.202964 -1.685757 -0.343948
C 6.594631 -1.106449 -1.646945
C -4.798931 1.899853 -0.859186
C -5.843410 1.286886 1.343913
C -6.138495 1.631184 -1.585998
C -7.190223 1.009127 0.638534
C -7.336502 1.871209 -0.637393
C -2.266283 -0.408595 0.019733
C 2.868611 0.362222 0.406259
C -1.690097 -0.787407 -1.203859
C -1.511551 0.065777 1.105148
C 0.499848 -0.186424 -0.266065
C -0.294485 -0.672740 -1.342155
C -0.114902 0.183516 0.964130
H 4.959079 1.547090 1.193996
H 5.033314 -0.586712 2.250333
H 6.689259 0.000183 2.005894
H 6.052229 2.283282 -0.751810
H 7.291647 1.346513 0.097180
H 5.266533 -2.254957 0.447482
H 6.586233 -2.411947 1.621206
H 5.795271 0.718478 -2.500546
H 7.536792 0.790276 -2.189461
H 8.096903 -1.103089 -0.038396
H 7.560935 -2.714292 -0.548245
H 5.557810 -1.487020 -1.729707
H 7.144356 -1.505958 -2.522157
H -4.703961 2.979845 -0.621326
H -3.936105 1.632263 -1.496653
H -5.678590 0.588007 2.182839
H -5.824921 2.318351 1.753122
H -6.201822 2.292709 -2.471645
H -6.147257 0.585763 -1.945702
H -7.245743 -0.064683 0.372912
H -8.015247 1.212314 1.347911
H -8.285211 1.635026 -1.154132
H -7.381449 2.944735 -0.355683
H -2.322548 -1.172818 -2.010100
H -1.999935 0.338746 2.045126
H 2.255880 -0.398664 -1.387238
H 0.181104 -0.963970 -2.286414
H 0.501869 0.554233 1.784717


