%chk=000216880.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216880

0 1
S 1.693175 1.366079 -1.685634
P 2.254424 0.840882 0.066797
O 0.948063 0.686822 1.142746
O 3.034624 -0.594001 0.215539
O -0.155146 -1.816914 0.849509
O -2.955239 -1.853913 -0.057176
N -2.872471 0.411500 -0.376498
N -2.254761 1.610451 -0.349111
C 3.381043 1.928942 1.070530
C -0.286127 0.515791 0.563935
C 2.870838 3.357277 1.053762
C 2.574535 -1.718676 -0.609078
C -0.898044 -0.717069 0.514517
C -2.287569 -0.836371 0.019793
C -1.016147 1.681572 0.103312
C 3.726690 -2.698716 -0.507116
C -4.245222 0.427966 -0.950846
C -0.874176 -2.951825 1.415411
H 3.441986 1.538375 2.111410
H 4.415300 1.865888 0.665574
H 3.546343 4.009963 1.627423
H 2.818431 3.788003 0.040961
H 1.877578 3.464178 1.514252
H 1.643288 -2.109493 -0.145747
H 2.391539 -1.396697 -1.651989
H -0.540599 2.671687 0.121547
H 3.477092 -3.656593 -0.977926
H 4.632207 -2.306771 -0.989053
H 3.987070 -2.892256 0.543451
H -4.728195 -0.553975 -0.776770
H -4.209962 0.617033 -2.038149
H -4.854512 1.217504 -0.478049
H -1.420623 -2.643182 2.309544
H -0.046661 -3.627138 1.659479
H -1.550673 -3.382122 0.664953


%chk=000216880-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216880

0 1
S 1.971770 1.504838 -1.984086
P 2.350275 0.904789 -0.042404
O 0.871181 0.839112 0.996718
O 3.139316 -0.618332 0.167121
O -0.213275 -1.728862 0.770998
O -3.002088 -1.892643 -0.191323
N -3.019332 0.440481 -0.369908
N -2.457613 1.701134 -0.343753
C 3.401889 1.936079 1.098565
C -0.412634 0.635256 0.485447
C 2.900144 3.385843 1.210245
C 2.765853 -1.780066 -0.698902
C -0.996949 -0.638503 0.447746
C -2.378845 -0.788073 -0.040882
C -1.183521 1.770336 0.067351
C 3.842279 -2.838584 -0.477708
C -4.405892 0.372716 -0.870808
C -0.823868 -2.908758 1.444922
H 3.383318 1.412141 2.069729
H 4.426687 1.882789 0.692850
H 3.584810 3.964023 1.855532
H 2.862636 3.876837 0.221794
H 1.892673 3.423526 1.658398
H 1.764959 -2.125293 -0.384132
H 2.726675 -1.439438 -1.751612
H -0.743609 2.770108 0.083348
H 3.610211 -3.734953 -1.082416
H 4.834790 -2.462033 -0.778556
H 3.886724 -3.136311 0.583858
H -5.041080 -0.164968 -0.148233
H -4.439666 -0.178686 -1.825702
H -4.751341 1.406192 -1.008557
H -1.160912 -2.616868 2.455622
H -0.000219 -3.634282 1.515774
H -1.667248 -3.295348 0.854266


