%chk=000294949.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294949

0 1
S 1.334444 -1.210184 0.292806
O -3.646725 1.040737 1.046904
O 0.475278 1.764477 1.214154
O -3.137448 1.532671 -1.141050
O 4.081178 1.546880 -1.561306
O 4.883708 2.287949 0.418583
N -1.652267 0.363909 0.237654
N 1.518645 2.002662 -0.806594
C -0.492634 0.546335 -0.664086
C 0.115853 -0.815817 -0.996437
C 0.550032 1.449170 0.043344
C 2.877608 -1.420548 -0.658105
C 3.857815 -1.953156 0.335654
C -2.834015 1.049535 -0.066752
C 2.586476 2.836535 -0.235961
C -5.022341 1.509188 0.854898
C 4.073039 -3.337756 0.435970
C 4.569603 -1.078374 1.171865
C -5.873563 0.390278 0.327909
C 4.995966 -3.837695 1.357774
C 5.490714 -1.585692 2.092140
C 3.966440 2.216396 -0.358756
C 5.707998 -2.963817 2.185770
C -5.896632 0.120704 -1.048888
C -6.646366 -0.383734 1.204704
C -6.697875 -0.910333 -1.544399
C -7.448136 -1.413634 0.703498
C -7.476283 -1.676347 -0.669727
C 5.382854 0.967339 -1.859301
H -0.850753 1.047513 -1.613658
H -0.666403 -1.607621 -0.998320
H 0.558308 -0.824487 -2.006289
H -1.431755 0.175071 1.225065
H 3.198912 -0.449524 -1.087965
H 2.723940 -2.114089 -1.505310
H 1.683193 1.656029 -1.747654
H 2.596903 3.834254 -0.742543
H 2.377167 3.034406 0.855568
H -5.012237 2.391327 0.185881
H -5.275979 1.814548 1.888315
H 3.514682 -4.025066 -0.196862
H 4.402662 -0.001289 1.121077
H 5.157918 -4.911817 1.433697
H 6.037343 -0.901203 2.740547
H 6.425425 -3.355537 2.904090
H -5.275014 0.713575 -1.727059
H -6.620324 -0.189502 2.275795
H -6.714859 -1.117859 -2.613011
H -8.048953 -2.013251 1.385005
H -8.101728 -2.478278 -1.057839
H 5.234271 0.542771 -2.857020
H 5.622984 0.200613 -1.113081
H 6.142730 1.755639 -1.859493


%chk=000294949-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294949

0 1
S 0.551006 -0.780663 -0.071916
O -3.776430 1.660724 0.525044
O 0.550096 2.786364 1.287693
O -3.050520 1.377352 -1.709350
O 4.312376 1.606424 -1.275867
O 5.487209 2.517288 0.522115
N -1.557398 1.770550 0.050768
N 1.966729 2.636504 -0.546534
C -0.368807 1.840494 -0.795724
C 0.006059 0.462309 -1.401074
C 0.752554 2.454761 0.080081
C 2.217867 -1.327787 -0.860062
C 3.009636 -2.160381 0.118894
C -2.804195 1.580100 -0.484749
C 3.129483 3.129979 0.190310
C -5.186272 1.383715 0.085959
C 2.956072 -3.577238 0.074398
C 3.820454 -1.538469 1.105266
C -5.530591 -0.085905 0.199186
C 3.700954 -4.356202 0.988609
C 4.567069 -2.313841 2.018752
C 4.428509 2.397085 -0.126863
C 4.510458 -3.726621 1.962121
C -5.300227 -0.963192 -0.892290
C -6.087607 -0.603434 1.396029
C -5.618744 -2.334888 -0.784199
C -6.406164 -1.975302 1.505701
C -6.172667 -2.844033 0.414066
C 5.539167 0.866339 -1.679287
H -0.570705 2.521696 -1.651348
H -0.876253 0.062819 -1.924874
H 0.830091 0.557796 -2.131246
H -1.429691 1.999322 1.043434
H 2.752540 -0.400612 -1.126835
H 1.974844 -1.897487 -1.772261
H 2.116194 2.307170 -1.501290
H 3.310518 4.207903 -0.000584
H 2.916809 3.038754 1.270107
H -5.295254 1.748604 -0.949883
H -5.782133 1.999159 0.778312
H 2.324690 -4.068543 -0.675792
H 3.850772 -0.443730 1.167389
H 3.649118 -5.449742 0.942393
H 5.187377 -1.818924 2.774220
H 5.088179 -4.329450 2.671633
H -4.857776 -0.563004 -1.811552
H -6.266427 0.069763 2.243600
H -5.436794 -3.005784 -1.631327
H -6.835562 -2.365481 2.435295
H -6.420715 -3.908394 0.496771
H 5.314701 0.469109 -2.678692
H 5.728348 0.050625 -0.962260
H 6.402856 1.550294 -1.701085


