%chk=000285063.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285063

0 1
S 0.006191 1.837143 -0.019502
O 0.369300 2.555952 -1.234175
O -0.353476 2.582522 1.180084
O 3.355356 -1.376190 -2.375863
O -3.359319 -1.309391 2.402738
O 3.927423 -2.820231 -0.880947
O -3.937725 -2.782002 0.938445
N 4.803279 -1.268119 1.562779
N -4.805338 -1.277765 -1.537946
N 3.495700 -1.721266 -1.209498
N -3.500880 -1.678400 1.243872
C 1.304282 0.779490 0.409812
C -1.296895 0.776986 -0.426991
C 3.593930 -0.755828 1.165472
C -3.593715 -0.762841 -1.151010
C 3.074526 -0.794395 -0.173484
C -3.074910 -0.775672 0.188669
C 1.994380 0.051419 -0.533341
C -1.990789 0.072309 0.531041
C 5.183439 -1.299499 3.010048
C 5.926299 -1.601974 0.637180
C -5.185333 -1.337403 -2.984363
C -5.930268 -1.586520 -0.605974
C 1.682295 0.667364 1.771689
C -1.675063 0.638041 -1.786332
C 2.769055 -0.081677 2.142125
C -2.765344 -0.113386 -2.141316
C 5.908302 -0.029268 3.442068
C 6.366343 -0.403291 -0.193920
C -5.903570 -0.072789 -3.443121
C -6.364829 -0.368405 0.199346
H 1.709972 0.091944 -1.598040
H -1.706479 0.133921 1.594759
H 4.272205 -1.462023 3.633748
H 5.827397 -2.194673 3.176688
H 6.785551 -1.972412 1.243754
H 5.637320 -2.469201 -0.011855
H -4.274792 -1.517641 -3.604201
H -5.833846 -2.232544 -3.132478
H -6.791054 -1.965674 -1.204936
H -5.645705 -2.441171 0.061423
H 1.096905 1.207035 2.531249
H -1.086895 1.158765 -2.556883
H 3.030589 -0.150384 3.198261
H -3.026888 -0.203053 -3.195878
H 6.855778 0.107830 2.905805
H 5.306076 0.871226 3.257750
H 6.140015 -0.053468 4.514334
H 5.561562 0.001680 -0.822313
H 6.723890 0.424033 0.431335
H 7.183439 -0.682372 -0.873022
H -6.850371 0.080437 -2.910032
H -5.296720 0.828258 -3.277636
H -6.135322 -0.118316 -4.514680
H -5.558612 0.045164 0.820266
H -6.717075 0.447638 -0.443489
H -7.184287 -0.628817 0.882988


%chk=000285063-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000285063

0 1
S 0.007438 2.031720 -0.024171
O 0.331326 2.782983 -1.443367
O -0.312196 2.816474 1.377730
O 3.910441 -0.360709 -2.749888
O -3.900430 -0.291552 2.754611
O 4.468049 -2.191156 -1.503848
O -4.469747 -2.142006 1.543958
N 4.949281 -1.312470 1.291843
N -4.952302 -1.314092 -1.266203
N 3.973906 -0.993086 -1.618379
N -3.969521 -0.944485 1.635154
C 1.469001 0.898656 0.337333
C -1.460090 0.898593 -0.360722
C 3.766688 -0.684809 0.925267
C -3.766026 -0.685058 -0.914097
C 3.376841 -0.366967 -0.433027
C -3.371964 -0.343452 0.437144
C 2.272588 0.477884 -0.714438
C -2.263431 0.501580 0.700466
C 5.070824 -1.970591 2.620857
C 6.201862 -1.284763 0.490124
C -5.078685 -2.000219 -2.580408
C -6.203374 -1.263865 -0.463205
C 1.733603 0.541945 1.677544
C -1.728834 0.517502 -1.693375
C 2.860872 -0.233053 1.955008
C -2.860145 -0.257488 -1.953998
C 5.758616 -1.102414 3.698816
C 6.615989 0.122411 0.009706
C -5.766304 -1.153863 -3.675584
C -6.609042 0.154542 -0.009341
H 2.064431 0.758754 -1.751640
H -2.052127 0.801188 1.731751
H 4.070511 -2.292682 2.956425
H 5.655950 -2.897171 2.468001
H 6.993110 -1.679284 1.151545
H 6.113377 -1.974248 -0.371898
H -4.080104 -2.332707 -2.910985
H -5.666230 -2.921472 -2.406019
H -6.997993 -1.666446 -1.115707
H -6.117567 -1.937186 0.411841
H 1.093896 0.921186 2.481520
H -1.088701 0.878391 -2.505426
H 3.094930 -0.444203 3.000328
H -3.097153 -0.487536 -2.994687
H 6.776344 -0.809358 3.384820
H 5.191133 -0.178636 3.906915
H 5.848290 -1.673242 4.640921
H 5.902088 0.562016 -0.705972
H 6.718727 0.818116 0.861423
H 7.591265 0.052135 -0.504245
H -6.780978 -0.847811 -3.364224
H -5.194810 -0.238404 -3.908039
H -5.863227 -1.746296 -4.603525
H -5.891790 0.604017 0.696758
H -6.709397 0.834330 -0.874116
H -7.583915 0.099452 0.507225


