%chk=000286702.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286702

0 1
S 2.073151 -1.450025 -0.084446
O -2.941531 -3.264835 -2.615362
O 1.086918 -1.629721 -1.143522
O 3.293991 -2.219777 -0.162354
O -1.922286 -2.189607 2.004468
O -4.355196 -3.874279 -0.990750
O -1.246367 4.177205 0.869953
N -1.490796 -2.367685 -0.234895
N 1.239549 -1.857016 1.354958
C -2.850905 -1.943893 -0.612009
C -2.871531 -0.696396 -1.508605
C -2.440778 0.582991 -0.848013
C 0.291140 -2.973517 1.381611
C -1.132944 -2.452383 1.112420
C 2.445016 0.198157 0.199370
C -3.487521 -3.125462 -1.361578
C -2.108404 1.665687 -1.681746
C -2.386131 0.743747 0.546707
C 3.785428 0.595294 0.311283
C 1.426740 1.151526 0.328250
C 3.083073 2.880806 0.721015
C -1.721465 2.893799 -1.144453
C -1.995194 1.958267 1.108338
C 4.106096 1.925803 0.567534
C 1.741078 2.482823 0.597773
C -1.666753 3.017720 0.249974
C 3.426014 4.304710 0.999409
H -3.467751 -1.773191 0.324896
H -3.901907 -0.557531 -1.909016
H -2.234904 -0.889830 -2.406153
H -0.765734 -2.323695 -0.978102
H 0.282914 -3.466474 2.384767
H 0.565235 -3.771214 0.651288
H 1.452401 -1.460326 2.268587
H -2.148955 1.550409 -2.765698
H -2.645049 -0.087477 1.214598
H 4.586291 -0.147145 0.198002
H 0.374221 0.858779 0.221684
H -1.468986 3.725129 -1.794240
H -1.949338 2.097360 2.187003
H 5.148959 2.227126 0.650643
H 0.937413 3.213262 0.722189
H 3.673403 4.836323 0.066835
H 2.600728 4.855036 1.473855
H 4.297087 4.403128 1.663364
H -3.308153 -4.046363 -3.110314
H -1.172467 4.927554 0.232681


%chk=000286702-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000286702

0 1
S 2.076748 -1.120951 -0.577256
O -3.024061 -4.096409 -1.321102
O 0.798579 -1.035310 -1.597328
O 3.463001 -1.782761 -1.124345
O -1.610639 -3.768526 1.499434
O -4.871099 -3.397919 -0.096166
O -1.100312 4.365857 -0.064991
N -1.448939 -2.151440 -0.163002
N 1.342348 -1.955921 0.915354
C -2.893541 -1.932092 -0.189381
C -3.279052 -0.848834 -1.242928
C -2.692822 0.524648 -0.948374
C 0.619684 -3.232312 0.634403
C -0.909465 -3.065051 0.705198
C 2.476854 0.559894 0.162561
C -3.698743 -3.206952 -0.483172
C -1.762823 1.122772 -1.832657
C -3.076957 1.249212 0.212299
C 3.827352 0.942931 0.196595
C 1.422921 1.367077 0.620323
C 3.106276 3.072577 1.213970
C -1.225947 2.403481 -1.574347
C -2.547026 2.524430 0.489953
C 4.130788 2.212867 0.734562
C 1.755359 2.634892 1.147080
C -1.617548 3.099171 -0.407919
C 3.445765 4.445857 1.763041
H -3.244390 -1.611628 0.810491
H -4.383872 -0.796345 -1.257591
H -2.953279 -1.196456 -2.240889
H -0.819463 -1.632469 -0.799586
H 0.896885 -3.973381 1.402376
H 0.892700 -3.654479 -0.354431
H 2.103642 -2.052561 1.610759
H -1.439325 0.582987 -2.729250
H -3.806291 0.815008 0.907333
H 4.603141 0.273307 -0.189102
H 0.384419 1.027310 0.573585
H -0.497788 2.841378 -2.269078
H -2.845575 3.086360 1.379952
H 5.176170 2.538336 0.781717
H 0.951686 3.285285 1.509912
H 3.488343 5.195128 0.948805
H 2.688824 4.791484 2.487426
H 4.429901 4.451875 2.262807
H -3.596222 -4.897432 -1.467371
H -0.500404 4.699902 -0.777469


