%chk=000179945.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179945

0 1
S 0.252655 2.806225 0.476740
P -0.475197 1.099601 -0.429519
O -1.996718 1.167988 0.208512
O 0.120026 -0.148045 0.497822
O -0.308521 0.980855 -1.890735
C 0.930759 3.823287 -0.956574
C -3.081945 -0.911206 0.768302
C 2.315775 -0.478676 1.355459
C -2.861593 0.122544 -0.163163
C 1.443945 -0.529384 0.249356
C -4.033687 -1.895902 0.429456
C 3.634091 -0.944442 1.168435
C -0.182781 4.171237 -1.915400
C 1.532564 5.021700 -0.252393
C -3.541590 0.220381 -1.380625
C 1.825289 -1.026114 -1.001563
C -4.723169 -1.810688 -0.791737
C 4.030879 -1.439720 -0.084377
C -2.302955 -0.929729 2.038531
C 1.843444 0.055494 2.665335
C -4.481755 -0.765430 -1.686075
C 3.136046 -1.480599 -1.155806
C -4.317553 -3.036922 1.352823
C 4.615558 -0.914581 2.295560
H 1.720410 3.215623 -1.459683
H 0.133280 4.952954 -2.620979
H -0.486749 3.308355 -2.534729
H -1.083404 4.548511 -1.412420
H 2.010724 5.697539 -0.976594
H 2.306426 4.739308 0.475297
H 0.781540 5.618604 0.285127
H -3.339623 1.039294 -2.068359
H 1.123881 -1.053990 -1.838727
H -5.457093 -2.572971 -1.047608
H 5.049018 -1.798079 -0.223326
H -1.282239 -1.315525 1.857874
H -2.185031 0.087258 2.446198
H -2.760239 -1.543688 2.820845
H 2.254736 1.058128 2.852496
H 0.745801 0.147968 2.698029
H 2.136322 -0.591470 3.502084
H -5.026601 -0.718115 -2.628008
H 3.459501 -1.870445 -2.120562
H -3.402312 -3.606093 1.573340
H -4.723770 -2.681499 2.311028
H -5.044947 -3.746474 0.938108
H 5.622867 -1.223727 1.988589
H 4.702984 0.094670 2.723318
H 4.304352 -1.587209 3.108400


%chk=000179945-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179945

0 1
S 0.479069 3.117348 0.467869
P -0.275196 1.243809 -0.544161
O -1.908588 1.153375 0.050683
O 0.378659 -0.094081 0.381284
O -0.077416 1.189882 -2.124992
C 0.526170 4.233176 -1.121773
C -3.145952 -0.817322 0.783068
C 2.484540 -0.744136 1.394537
C -2.754313 0.036693 -0.278450
C 1.716947 -0.573099 0.213617
C -4.046094 -1.882318 0.473190
C 3.789353 -1.310608 1.261337
C -0.888334 4.706861 -1.480884
C 1.503220 5.377740 -0.804693
C -3.205846 -0.115323 -1.605331
C 2.192200 -0.923695 -1.069899
C -4.504958 -2.043999 -0.858904
C 4.274240 -1.662582 -0.022147
C -2.587451 -0.601461 2.175649
C 1.937070 -0.350236 2.752038
C -4.092150 -1.173434 -1.891875
C 3.487284 -1.468182 -1.179560
C -4.508294 -2.848729 1.551459
C 4.653695 -1.527403 2.490708
H 0.929720 3.573106 -1.909071
H -0.844620 5.343332 -2.386074
H -1.556963 3.855872 -1.695630
H -1.329917 5.298211 -0.659490
H 1.581859 6.036738 -1.689843
H 2.511425 4.999715 -0.563732
H 1.144993 5.992385 0.041237
H -2.863050 0.574221 -2.382449
H 1.560854 -0.766357 -1.949540
H -5.193062 -2.866200 -1.087290
H 5.278279 -2.092762 -0.113400
H -1.593853 -1.081949 2.269564
H -2.441561 0.472571 2.375667
H -3.245431 -1.023557 2.952426
H 2.614419 0.358871 3.264192
H 0.947036 0.120015 2.658163
H 1.837928 -1.233025 3.413254
H -4.457378 -1.318045 -2.914147
H 3.877583 -1.745656 -2.164512
H -3.653773 -3.334145 2.058545
H -5.099348 -2.336212 2.334696
H -5.141518 -3.643299 1.121561
H 5.620503 -1.984845 2.221013
H 4.863692 -0.574760 3.014151
H 4.157729 -2.189696 3.226041


