%chk=000106278.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000106278

0 1
S 0.116754 4.444532 0.188603
O -0.482918 -2.120170 1.406343
O -4.268603 1.159920 -0.207661
O 0.121725 4.843385 1.823974
O 3.298944 -2.351636 1.572457
O 1.479781 4.638977 -0.225425
O -0.941914 5.242947 -0.395886
N 1.532465 -0.326221 1.023548
N -2.683037 3.237266 -0.112751
C -0.898371 0.047127 0.511126
C -1.943045 0.934013 0.199009
C 0.423079 0.505640 0.650194
C -1.676085 2.347485 0.108221
C -0.324739 2.800429 0.260360
C -1.206072 -1.416098 0.732274
C -2.449102 -1.941278 0.105780
C -3.469108 -1.051090 -0.268810
C -3.300068 0.422266 -0.081107
C 0.689136 1.887827 0.518945
C 2.553442 -0.606238 0.069866
C -2.612187 -3.317657 -0.077148
C -4.654237 -1.544415 -0.822799
C 3.518288 -1.590617 0.422217
C -3.796287 -3.806308 -0.645889
C -4.813089 -2.923773 -1.014891
C 2.702405 0.071402 -1.150465
C 4.609021 -1.883722 -0.408488
C 3.796962 -0.213481 -1.973491
C 4.740120 -1.175285 -1.616298
C 5.602766 -2.926782 -0.024735
C 3.881134 -1.768914 2.769928
H 1.732359 2.228899 0.636487
H 1.272825 -1.153162 1.602795
H -1.816088 -4.002413 0.230116
H -5.450779 -0.846216 -1.098828
H -2.518781 4.241864 -0.274854
H -3.656856 2.918881 -0.210646
H -3.921579 -4.879770 -0.794367
H -5.737125 -3.305206 -1.451777
H 1.974028 0.810094 -1.472151
H 5.581301 -1.384407 -2.272569
H 3.907618 0.327130 -2.914316
H 6.557729 -2.475331 0.277101
H 5.241387 -3.539396 0.817925
H 5.810872 -3.614346 -0.855937
H 0.645086 5.617131 2.080208
H 3.462085 -0.775367 2.952982
H 4.968746 -1.727548 2.673566
H 3.573614 -2.480465 3.543964


%chk=000106278-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000106278

0 1
S 0.284743 4.334993 0.020038
O -0.352021 -2.511128 0.177242
O -4.378362 1.267503 -0.054995
O 0.205913 4.471411 1.868998
O 3.165553 -2.570838 0.874381
O 1.824084 4.458861 -0.452819
O -0.830247 5.344899 -0.601228
N 1.461997 -0.713713 -0.127311
N -2.660313 3.185474 -0.157862
C -0.941167 -0.172168 -0.022301
C -1.992688 0.816686 -0.041887
C 0.445771 0.226846 -0.102865
C -1.687565 2.231704 -0.092263
C -0.284892 2.554397 -0.075537
C -1.274790 -1.605945 0.077667
C -2.696729 -2.015020 0.075394
C -3.731598 -1.039463 0.025409
C -3.410129 0.407590 -0.022371
C 0.740706 1.626863 -0.077129
C 2.833875 -0.536263 -0.422858
C -3.029104 -3.393787 0.130050
C -5.088770 -1.452621 0.029310
C 3.729821 -1.511613 0.118370
C -4.377279 -3.795376 0.129629
C -5.410536 -2.821481 0.079225
C 3.355382 0.466155 -1.283981
C 5.117311 -1.489082 -0.159536
C 4.738915 0.505464 -1.552769
C 5.611058 -0.456246 -0.998352
C 6.038706 -2.546888 0.417126
C 3.089452 -2.322960 2.329827
H 1.776454 1.972967 -0.017879
H 1.126177 -1.689452 0.067877
H -2.212138 -4.120302 0.170236
H -5.862889 -0.680552 -0.007101
H -2.409196 4.173604 -0.275756
H -3.633489 2.826829 -0.142126
H -4.631797 -4.859922 0.168009
H -6.459150 -3.137684 0.079738
H 2.690994 1.175212 -1.785424
H 6.681762 -0.423033 -1.229813
H 5.131578 1.279610 -2.220305
H 6.447002 -2.234758 1.398329
H 5.498931 -3.496336 0.568779
H 6.897451 -2.727163 -0.251916
H 0.447830 5.411993 2.115775
H 2.500453 -1.410873 2.544473
H 4.102637 -2.221149 2.763496
H 2.583896 -3.203342 2.753705


