%chk=000219979.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219979

0 1
S 2.683792 2.291593 -0.323681
O -1.700406 -1.423040 -1.215777
O -2.963971 0.700907 -1.407379
O -0.931628 -2.658227 1.267417
O -3.303096 2.461145 1.052359
O -3.678671 -3.255765 2.086905
O 3.409486 2.824875 -1.455191
O 2.994224 2.737209 1.006635
N 0.085950 2.225539 0.010325
N 1.044930 2.845880 -0.697435
C -1.703248 -0.728789 0.033319
C -2.690611 0.466331 -0.028113
C -2.027156 -1.739587 1.155027
C -2.132593 1.694559 0.732768
C -3.320045 -2.536644 0.905468
C -1.177635 2.522926 -0.096563
C 2.568074 0.590239 -0.404700
C 2.989406 -0.092185 -1.554955
C 2.021119 -0.127938 0.667825
C 2.276562 -2.194687 -0.574070
C 2.851874 -1.475131 -1.639375
C 1.863759 -1.509872 0.581443
C 2.102626 -3.671101 -0.683882
H -0.637145 -0.395299 0.131811
H -3.709751 0.224607 0.370077
H -2.046573 -1.256072 2.160533
H -1.667114 1.372341 1.697933
H -3.205779 -3.244023 0.063855
H -4.196859 -1.885687 0.727383
H -1.646125 3.299645 -0.707574
H -2.551241 -1.264030 -1.709883
H -2.163060 1.045080 -1.872105
H -0.710010 -3.021679 0.373867
H -3.056345 3.296921 1.502167
H -2.917502 -3.810359 2.380221
H 0.852303 3.647813 -1.314173
H 3.429706 0.464482 -2.391243
H 1.708453 0.397537 1.577867
H 3.181800 -2.000924 -2.533992
H 1.402548 -2.056039 1.409126
H 3.049450 -4.173201 -0.936296
H 1.738645 -4.132580 0.245035
H 1.385558 -3.928374 -1.479281


%chk=000219979-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219979

0 1
S 2.530252 2.176365 0.238627
O -2.658672 -1.913924 -1.104981
O -3.270430 0.650475 -1.806773
O -1.267269 -2.767505 0.988345
O -3.713715 2.488335 0.638634
O -3.034602 -2.484943 3.110364
O 3.591463 3.054377 -0.621194
O 2.335556 2.363579 1.836644
N -0.200875 2.043716 -0.046935
N 0.872458 2.584268 -0.654672
C -2.122121 -0.834383 -0.253454
C -3.065078 0.389132 -0.363255
C -1.973340 -1.471505 1.143619
C -2.549781 1.620870 0.421284
C -3.302166 -1.734875 1.883645
C -1.445351 2.381740 -0.296731
C 2.664873 0.356695 -0.180341
C 3.453173 -0.007063 -1.282552
C 1.949538 -0.558690 0.609770
C 2.809472 -2.351293 -0.847761
C 3.525376 -1.381789 -1.600077
C 2.018459 -1.921995 0.252699
C 2.897072 -3.824660 -1.197129
H -1.112816 -0.549872 -0.620589
H -4.075807 0.143108 0.002257
H -1.309647 -0.863600 1.782621
H -2.140613 1.258090 1.387525
H -3.999058 -2.282427 1.214526
H -3.777654 -0.792480 2.207914
H -1.748404 3.183974 -0.995691
H -3.025654 -1.479899 -1.921874
H -2.461565 1.103584 -2.165147
H -1.636860 -3.170747 0.153707
H -3.453802 3.234672 1.237276
H -2.382206 -3.193701 2.859365
H 0.891064 3.548637 -1.042290
H 3.993017 0.750859 -1.859191
H 1.362500 -0.221531 1.468702
H 4.140666 -1.702254 -2.448286
H 1.428278 -2.646102 0.824618
H 3.568259 -4.354636 -0.494436
H 1.908664 -4.312593 -1.129594
H 3.291045 -3.981615 -2.215489


