%chk=000276454.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276454

0 1
S -1.584967 -2.017802 -0.447029
O 1.213012 2.753274 -1.803340
O -0.905772 -3.196778 0.049431
O -2.652622 -2.153013 -1.420094
O 4.358677 0.626945 1.208076
N -0.418756 -0.997651 -1.203265
C -0.700338 -0.426998 -2.566209
C 0.817593 -0.659049 -0.586313
C 1.402510 0.610599 -0.870294
C -0.278345 1.018491 -2.635470
C 0.712450 1.474498 -1.847085
C 0.020521 -1.253364 -3.640108
C -2.137650 -1.082671 0.888616
C 1.466473 -1.531158 0.304051
C 2.589614 0.992876 -0.251464
C 3.200427 0.107996 0.656161
C 2.652531 -1.149066 0.934158
C -3.228947 -0.220763 0.731269
C -1.507097 -1.184537 2.134631
C -3.684635 0.542381 1.806403
C -1.955897 -0.424904 3.213601
C 0.661916 3.731823 -2.744771
C -3.048439 0.447513 3.055946
C 1.459121 4.985460 -2.444235
C -3.518616 1.262700 4.213289
C 5.118053 -0.229749 2.091402
H -1.813087 -0.497023 -2.733194
H -0.804240 1.618310 -3.362676
H -0.155693 -0.838000 -4.637582
H 1.104841 -1.269517 -3.476463
H -0.325558 -2.293809 -3.645159
H 1.067278 -2.537088 0.490324
H 3.041549 1.964482 -0.461509
H 3.136957 -1.839147 1.619262
H -3.735789 -0.149240 -0.238059
H -0.660529 -1.868012 2.267094
H -4.533663 1.210180 1.674824
H -1.459810 -0.506160 4.178828
H 0.820055 3.356312 -3.770207
H -0.414973 3.845319 -2.533197
H 1.133419 5.825990 -3.066747
H 1.354980 5.279419 -1.390056
H 2.532719 4.826757 -2.618234
H -2.747098 1.981129 4.531263
H -4.424381 1.843095 3.991753
H -3.747511 0.631685 5.085292
H 4.532261 -0.474642 2.981624
H 5.970692 0.412765 2.347375
H 5.450962 -1.127058 1.561886


%chk=000276454-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276454

0 1
S -1.150671 -3.271412 1.427761
O 1.858626 2.477972 -3.163858
O -1.725652 -3.599780 -0.099649
O 0.213128 -2.131361 1.377751
O 5.594608 1.919059 0.131800
N 0.477294 -0.371899 -0.387684
C -0.336405 -0.017562 -1.406264
C 1.744993 0.188912 -0.261736
C 2.233314 1.172845 -1.193737
C 0.087405 0.942157 -2.381544
C 1.351822 1.537256 -2.280736
C -1.706581 -0.646938 -1.470339
C -2.482410 -2.068723 2.089405
C 2.584126 -0.227107 0.814310
C 3.529518 1.728759 -1.026727
C 4.333314 1.313088 0.046200
C 3.858388 0.325622 0.969309
C -2.182797 -1.199711 3.155426
C -3.755522 -2.103705 1.495202
C -3.197547 -0.341702 3.635812
C -4.759235 -1.237718 1.987126
C 1.017388 2.889988 -4.314828
C -4.499478 -0.353345 3.066435
C 1.826863 3.907471 -5.111424
C -5.591068 0.550308 3.613827
C 6.478237 1.516275 1.230006
H 0.186642 -1.339307 0.534986
H -0.602743 1.189802 -3.190672
H -2.381080 -0.173780 -0.730233
H -2.155505 -0.518617 -2.469257
H -1.676219 -1.726806 -1.218787
H 2.205085 -0.993715 1.499554
H 3.904494 2.475154 -1.730512
H 4.486747 -0.009784 1.799565
H -1.171980 -1.171843 3.575902
H -3.930355 -2.776419 0.646999
H -2.975489 0.348642 4.459083
H -5.755984 -1.250845 1.529295
H 0.776874 1.994209 -4.921559
H 0.074309 3.327555 -3.930522
H 1.244221 4.247748 -5.986517
H 2.070980 4.786408 -4.491251
H 2.769200 3.461464 -5.471648
H -6.063623 0.102799 4.509876
H -5.190233 1.534775 3.914816
H -6.389625 0.718296 2.870354
H 6.027444 1.743226 2.215431
H 7.390213 2.115582 1.094138
H 6.729165 0.439505 1.172912


