%chk=000194059.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194059

0 1
S 1.013863 0.195246 -2.506680
O 1.576166 -3.251448 -0.833965
O 0.951829 -1.486441 1.845354
O -1.471114 -2.778558 0.759724
O 1.214423 4.217127 -1.155332
O 3.332508 1.797938 2.050209
O 1.145071 1.561003 2.465109
O -2.928655 2.234896 -1.224481
O -1.205829 2.921091 0.009623
N 1.976685 -0.317134 0.015979
N -0.474105 -2.083470 -1.187453
N -1.271781 0.250241 1.121066
C 0.897549 -2.025198 -0.714628
C 1.824192 -0.923688 -1.338192
C 1.141516 -1.308447 0.690581
C 2.032983 1.080679 0.225183
C 2.004456 1.686041 -2.206855
C 2.089589 2.007952 -0.756322
C -1.594667 -2.349026 -0.371245
C 2.234051 3.486896 -0.468610
C -2.932773 -2.095893 -1.034238
C 2.055211 1.470028 1.677030
C 1.012274 -4.363409 -0.089294
C -3.236298 -0.595713 -1.129931
C -3.599117 0.054415 0.213849
C -2.522739 0.985980 0.804781
C -2.100646 2.118825 -0.133953
H 2.786711 -1.318081 -1.735864
H -0.625080 -1.803404 -2.159941
H 3.016322 1.573567 -2.649993
H 1.503538 2.520322 -2.761621
H 3.174374 3.890000 -0.899069
H 2.199077 3.732781 0.608707
H -2.977765 -2.560109 -2.039499
H -3.718407 -2.614037 -0.440761
H 0.612878 -4.034153 0.879637
H 0.229995 -4.826176 -0.696735
H 1.875482 -5.026555 0.034407
H -4.078018 -0.449191 -1.837781
H -2.377633 -0.060998 -1.589786
H -4.528721 0.647842 0.081289
H -3.842896 -0.724967 0.965551
H -2.967976 1.501611 1.706677
H 0.321790 3.979458 -0.778970
H 3.399383 2.034372 3.018911
H -1.470020 -0.620613 1.621976
H -0.652119 0.815481 1.716157
H -2.670959 2.987317 -1.823304


%chk=000194059-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194059

0 1
S 1.161596 -0.069407 -2.745790
O 1.787188 -3.447826 -0.694550
O 0.867314 -1.428131 1.864486
O -1.574115 -2.787048 0.692944
O 0.907218 4.028973 -1.311305
O 3.035235 0.696643 2.315327
O 1.344308 2.281924 2.183921
O -3.914477 2.801100 -0.451535
O -1.627201 3.108758 -0.392694
N 1.907164 -0.355288 -0.047454
N -0.302896 -2.278280 -1.213985
N -1.269070 0.833114 1.176903
C 1.048200 -2.212681 -0.666846
C 1.924863 -1.079707 -1.335118
C 1.179350 -1.349064 0.665888
C 2.040900 1.030067 0.176657
C 2.120254 1.517396 -2.311134
C 2.087699 1.933305 -0.856220
C -1.509573 -2.404041 -0.508497
C 2.081784 3.443340 -0.654971
C -2.726545 -1.943841 -1.315272
C 2.068484 1.420948 1.626264
C 1.188573 -4.522498 0.132437
C -2.896845 -0.398631 -1.161963
C -3.415704 0.019953 0.240954
C -2.641799 1.218922 0.868030
C -2.627300 2.441242 -0.046672
H 2.923893 -1.430405 -1.630348
H -0.387010 -2.005952 -2.197583
H 3.157906 1.372347 -2.662001
H 1.643189 2.306091 -2.916879
H 2.940714 3.907099 -1.173334
H 2.125730 3.709803 0.415504
H -2.610788 -2.201723 -2.386010
H -3.617798 -2.469625 -0.932475
H 1.083255 -4.194702 1.181182
H 0.196996 -4.807407 -0.261725
H 1.889907 -5.366281 0.053528
H -3.594950 -0.042392 -1.942254
H -1.916239 0.079977 -1.350816
H -4.489123 0.274318 0.196332
H -3.305022 -0.821702 0.951514
H -3.240464 1.547912 1.756945
H 0.068545 3.694388 -0.883912
H 2.958699 0.881777 3.290747
H -1.182088 -0.015132 1.744441
H -0.646750 1.592334 1.474140
H -3.868607 3.624437 -1.009501


