%chk=000286383.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286383

0 1
S 4.326946 1.685237 -0.266800
S -4.341214 -1.689455 0.267914
O 4.871666 2.222681 -1.497503
O 4.285745 2.482056 0.936582
O -4.302308 -2.487271 -0.934871
O -4.888119 -2.223928 1.498899
N 2.710671 1.281651 -0.732561
N -2.723653 -1.291269 0.734122
C 0.505510 0.214712 -0.435748
C -0.518140 -0.224873 0.437507
C 1.664236 0.884174 0.134820
C -1.676951 -0.894100 -0.133082
C 0.378090 -0.007389 -1.842317
C -0.390737 -0.002817 1.844094
C 1.739937 1.107446 1.498555
C -1.752741 -1.117314 -1.496829
C -0.717694 -0.659338 -2.349437
C 0.704980 0.649245 2.351176
C 5.043755 0.162105 0.073579
C -5.051622 -0.163686 -0.074026
C 5.757615 -0.509325 -0.927628
C -4.939307 0.404691 -1.348627
C 4.928958 -0.410911 1.345894
C -5.757149 0.514905 0.928271
C 6.219506 -2.329188 0.608807
C -6.219413 2.330524 -0.613104
C 6.342613 -1.746753 -0.665817
C -5.516441 1.644618 -1.619494
C 5.510722 -1.649023 1.615055
C -6.337361 1.754216 0.664833
C 6.851745 -3.648502 0.896389
C -6.822309 3.664925 -0.893849
H 2.452182 1.369975 -1.727396
H -2.464830 -1.382503 1.728547
H 1.164335 0.338145 -2.511423
H -1.176874 -0.348557 2.513193
H 2.562064 1.676063 1.945045
H -2.575073 -1.685742 -1.943203
H -0.809731 -0.845245 -3.419799
H 0.797078 0.835071 3.421544
H 5.864793 -0.056668 -1.920935
H -4.400829 -0.125643 -2.142364
H 4.384769 0.114249 2.139153
H -5.861689 0.066385 1.923701
H 6.896522 -2.261618 -1.448878
H -5.420862 2.081469 -2.612132
H 5.415281 -2.088477 2.606563
H -6.882639 2.275838 1.449469
H 6.925933 -4.285618 0.003651
H 7.876004 -3.513756 1.279837
H 6.300407 -4.224429 1.653435
H -7.122122 3.780719 -1.945095
H -7.714988 3.862789 -0.283755
H -6.101265 4.469810 -0.676656


%chk=000286383-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000286383

0 1
S 4.335037 1.870171 -0.167766
S -4.338351 -1.870065 0.172528
O 4.937972 2.476768 -1.551065
O 4.415532 2.707127 1.226169
O -4.419549 -2.709137 -1.220160
O -4.943044 -2.473952 1.556256
N 2.621669 1.506608 -0.667822
N -2.624690 -1.507762 0.673318
C 0.534034 0.241288 -0.420609
C -0.536748 -0.243043 0.425954
C 1.596606 1.020564 0.187815
C -1.599390 -1.022220 -0.182449
C 0.503622 -0.030333 -1.826856
C -0.506383 0.028457 1.832215
C 1.601372 1.261123 1.571261
C -1.604194 -1.262891 -1.565853
C -0.554462 -0.752503 -2.382180
C 0.551697 0.750611 2.387560
C 5.043988 0.157188 0.155530
C -5.044188 -0.156441 -0.153997
C 5.478612 -0.590568 -0.951042
C -5.150036 0.280489 -1.482030
C 5.147112 -0.283782 1.482543
C -5.474057 0.595859 0.951458
C 6.143717 -2.371476 0.622923
C -6.139784 2.373076 -0.626409
C 6.032337 -1.863347 -0.700725
C -5.702515 1.562104 -1.705589
C 5.701722 -1.564798 1.703535
C -6.025532 1.868994 0.698654
C 6.718297 -3.754228 0.867732
C -6.713775 3.755675 -0.873502
H 2.406696 2.039192 -1.518600
H -2.409822 -2.042314 1.522920
H 1.334147 0.296650 -2.459385
H -1.336951 -0.298658 2.464604
H 2.386942 1.883914 2.009798
H -2.389881 -1.885553 -2.004381
H -0.565571 -0.971753 -3.455295
H 0.562820 0.969828 3.460684
H 5.406310 -0.183037 -1.964367
H -4.833695 -0.364482 -2.307454
H 4.827382 0.357939 2.309186
H -5.399521 0.191572 1.965914
H 6.385928 -2.469198 -1.542860
H -5.797864 1.931510 -2.732632
H 5.795260 -1.937193 2.729689
H -6.375115 2.478473 1.539874
H 5.973086 -4.537161 0.628982
H 7.602308 -3.942435 0.232947
H 7.016894 -3.890894 1.920733
H -6.984901 3.901098 -1.932671
H -7.615626 3.933468 -0.260943
H -5.979454 4.539782 -0.606833


