%chk=000293144.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293144

0 1
S 3.631658 -3.489483 -0.330426
S 1.842674 3.685064 -0.221306
O -0.460748 -5.092940 1.285967
O 3.667743 -3.697534 -1.943259
O 4.815166 -3.974020 0.675828
O 2.144186 5.004531 0.678541
O 2.302137 3.558086 -1.773669
O -4.615499 1.392023 -1.928040
N 2.097500 -4.447699 0.239224
N 2.641420 2.400583 0.822055
N -4.085507 2.391994 0.160312
C 1.870376 -4.340647 1.701613
C 0.889297 -4.105821 -0.551849
C 0.769444 -5.372200 2.042213
C -0.189854 -5.141592 -0.159178
C 3.338507 -1.659151 -0.002568
C 2.727120 -0.880308 -1.000092
C 3.768839 -1.118941 1.223071
C 2.890727 1.058843 0.492813
C 2.503919 0.487882 -0.754259
C 3.542400 0.246359 1.470332
C 0.019783 3.253355 -0.124359
C -0.669341 3.579607 1.056464
C -0.598943 2.672363 -1.241491
C -2.703426 2.666725 0.014325
C -2.040232 3.278429 1.119189
C -1.974138 2.370473 -1.174361
C -6.399034 1.634895 -0.208697
C -7.397280 1.122167 -1.265773
C -4.973094 1.784832 -0.758450
C -8.814266 0.944652 -0.682842
H 2.807018 -4.594576 2.228076
H 1.527539 -3.325737 2.008159
H 0.509974 -3.081402 -0.332641
H 1.129129 -4.194228 -1.625809
H 1.138219 -6.392310 1.809569
H 0.488280 -5.304674 3.105851
H -1.148601 -4.909837 -0.650951
H 0.152432 -6.156019 -0.449724
H 2.473253 -1.325240 -1.967871
H 4.292867 -1.748324 1.949909
H 2.087609 1.118207 -1.544205
H 3.864649 0.688151 2.419872
H 3.168398 2.866363 1.569786
H -0.156915 4.068806 1.890263
H -0.028567 2.481657 -2.156092
H -2.602176 3.523008 2.028626
H -2.491140 1.917250 -2.020553
H -6.743559 2.609916 0.194882
H -6.374254 0.933413 0.651914
H -4.496111 2.663199 1.057621
H -7.027070 0.164870 -1.675364
H -7.419343 1.828128 -2.116637
H -9.214869 1.900178 -0.294125
H -9.514189 0.578139 -1.454800
H -8.819708 0.213733 0.148013


%chk=000293144-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000293144

0 1
S 3.715208 -3.476593 -0.283834
S 1.758650 3.655979 -0.297707
O -0.346493 -5.148519 1.339741
O 3.763500 -3.713139 -1.892430
O 4.904284 -3.915981 0.736553
O 2.038678 4.999686 0.572613
O 2.201867 3.508567 -1.852901
O -4.636015 1.172650 -1.855479
N 2.200493 -4.458215 0.296002
N 2.600088 2.411885 0.758623
N -4.131261 2.233833 0.176524
C 1.962472 -4.329952 1.754779
C 0.989399 -4.161531 -0.508498
C 0.885349 -5.382095 2.108475
C -0.065768 -5.216783 -0.102737
C 3.380836 -1.647500 0.009827
C 2.756215 -0.899699 -1.003118
C 3.795376 -1.076592 1.226974
C 2.874823 1.068903 0.455048
C 2.503723 0.467786 -0.782585
C 3.539201 0.287708 1.449271
C -0.053381 3.184739 -0.170048
C -0.737866 3.526658 1.009111
C -0.668806 2.558523 -1.264647
C -2.757832 2.537889 0.012471
C -2.100437 3.194738 1.094027
C -2.035483 2.226444 -1.174602
C -6.418638 1.372303 -0.180100
C -7.494824 1.656479 -1.256907
C -4.999014 1.577222 -0.714611
C -8.910417 1.280385 -0.774377
H 2.901973 -4.551043 2.290883
H 1.592946 -3.318446 2.040699
H 0.583203 -3.142931 -0.311323
H 1.238399 -4.264078 -1.579121
H 1.281031 -6.397005 1.898259
H 0.595609 -5.301104 3.168883
H -1.027092 -5.018499 -0.603978
H 0.303991 -6.227225 -0.372700
H 2.514931 -1.366823 -1.963619
H 4.329735 -1.681856 1.966657
H 2.077464 1.075542 -1.584874
H 3.848403 0.752907 2.391935
H 3.115965 2.902444 1.498021
H -0.228954 4.050549 1.823774
H -0.102996 2.356730 -2.179642
H -2.659734 3.450064 2.002190
H -2.552058 1.738093 -2.002190
H -6.606128 1.989262 0.721347
H -6.504058 0.311969 0.134239
H -4.545383 2.520801 1.066740
H -7.231709 1.086488 -2.166116
H -7.461853 2.727717 -1.535202
H -9.196537 1.849571 0.130343
H -9.661947 1.492980 -1.555521
H -8.974729 0.203316 -0.530046


