%chk=000108323.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000108323

0 1
S 5.462702 -0.173427 0.985444
S 2.911699 1.195848 0.029038
O -2.973140 2.060586 -2.221074
O -1.227193 -1.016361 1.044544
O -5.377152 1.183711 1.748150
O -0.735514 -0.621527 -2.339139
O 6.332442 -1.053048 0.251916
O 5.756726 1.234669 1.123772
N 1.965291 -1.181838 -0.328298
N 0.410837 0.691166 -0.839002
N 3.205690 -1.378806 0.138457
N 5.339202 -0.805521 2.569062
C -1.998008 0.444072 -0.601309
C -2.977059 1.344644 -1.067018
C -2.225255 -0.147359 0.674187
C 1.528929 0.190640 -0.485620
C -4.309955 1.009250 0.914473
C -4.143537 1.629641 -0.320452
C -3.354222 0.109039 1.440117
C -0.779990 0.071479 -1.341557
C 3.841398 -0.254958 0.379137
C 1.128354 -2.344265 -0.695637
C -1.858918 1.989339 -3.147624
C -1.301096 -1.624834 2.361523
C -6.436437 2.084073 1.327258
H -4.863680 2.326918 -0.734704
H -3.536854 -0.343881 2.406907
H 0.803608 -2.257011 -1.755996
H 0.220622 -2.372999 -0.059763
H 1.680451 -3.292551 -0.575741
H 5.762906 -1.705855 2.777789
H 5.445915 -0.177531 3.361440
H -0.929455 2.290940 -2.652540
H -2.157638 2.727391 -3.903539
H -1.794811 0.983344 -3.582280
H -2.170064 -2.287761 2.416534
H -1.327063 -0.850350 3.134997
H -0.361132 -2.189715 2.402947
H -7.132954 2.018979 2.173323
H -6.898244 1.718245 0.405321
H -6.045100 3.099525 1.214058


%chk=000108323-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108323

0 1
S 5.807767 -0.618167 0.723115
S 3.146596 1.109916 0.208792
O -3.072533 1.917054 -2.344917
O -1.133071 -0.583054 1.420809
O -5.711701 0.956243 1.563056
O -0.645764 -0.198774 -2.312974
O 6.484448 -1.829363 -0.113036
O 6.348446 0.913659 0.704939
N 1.971996 -1.221537 -0.343380
N 0.464554 0.702228 -0.461821
N 3.285213 -1.554527 -0.032421
N 5.692999 -1.111994 2.483168
C -1.988922 0.633667 -0.464557
C -3.083701 1.292188 -1.098129
C -2.214077 0.121751 0.859826
C 1.603047 0.141470 -0.284552
C -4.518254 0.889429 0.836418
C -4.344392 1.412547 -0.455317
C -3.449684 0.245620 1.512513
C -0.698183 0.320041 -1.150254
C 3.979983 -0.485379 0.257095
C 1.028791 -2.301884 -0.689567
C -1.828522 2.360671 -2.994721
C -1.276069 -1.063222 2.799369
C -6.864918 1.588330 0.913302
H -5.129272 1.948820 -0.992002
H -3.636414 -0.155703 2.510162
H 0.651863 -2.157985 -1.716252
H 0.175012 -2.284069 0.008798
H 1.573941 -3.252164 -0.606623
H 6.015106 -2.087821 2.583148
H 6.220379 -0.429755 3.051880
H -1.105929 2.742540 -2.249110
H -2.142518 3.175455 -3.665291
H -1.372247 1.534722 -3.563188
H -2.081875 -1.817874 2.879297
H -1.477985 -0.225647 3.492945
H -0.307341 -1.523625 3.044259
H -7.684281 1.506921 1.642101
H -7.136352 1.059108 -0.019965
H -6.663837 2.654067 0.692186


