%chk=000185191.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185191

0 1
S 2.630693 2.546800 -0.462703
S 4.692351 2.208509 -0.796397
O 0.957229 -2.203378 0.857762
O -1.166280 -0.856391 -0.882563
N 2.981264 -1.287647 0.159466
N -0.132578 0.673550 0.482472
C -3.779727 -0.023374 -0.282342
C -5.107820 0.543120 0.230610
C -2.582651 0.636352 0.416726
C 1.173143 0.214164 0.258419
C -6.301148 -0.120375 -0.472075
C 3.458040 0.000379 -0.179129
C 2.278650 0.912337 -0.096086
C 1.573168 -1.252149 0.463619
C -1.285061 0.043205 -0.085681
C -7.631382 0.435323 0.030271
C 3.805052 -2.504753 0.154073
C 4.662839 0.492511 -0.508604
H -3.695697 0.116648 -1.379373
H -3.740730 -1.122139 -0.127879
H -5.143666 1.638073 0.072235
H -5.189677 0.393200 1.324563
H -2.607810 1.732550 0.251337
H -2.660591 0.489137 1.515715
H -6.223639 0.027092 -1.567455
H -6.269784 -1.216662 -0.313268
H -0.213160 1.564377 0.973264
H -7.759248 0.269280 1.106007
H -7.713456 1.513484 -0.147770
H -8.476307 -0.044905 -0.476793
H 3.184675 -3.369049 0.466069
H 4.648275 -2.412227 0.859887
H 4.200253 -2.711927 -0.855664
H 5.588880 -0.059415 -0.607812


%chk=000185191-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185191

0 1
S 2.184338 2.314996 -1.305571
S 4.402873 1.991998 -1.929800
O 1.261869 -2.027638 1.590788
O -1.116595 -1.019404 -0.834873
N 3.110850 -1.192826 0.331432
N -0.152477 0.521087 0.625509
C -3.753507 0.186886 -0.355129
C -5.142613 0.377615 0.291354
C -2.606859 0.232869 0.677883
C 1.178663 0.129927 0.346100
C -6.296674 0.336178 -0.736176
C 3.370522 -0.038269 -0.411454
C 2.146246 0.776343 -0.393595
C 1.771349 -1.149341 0.847076
C -1.254630 -0.156962 0.073935
C -7.686504 0.518474 -0.089025
C 4.037957 -2.293608 0.583360
C 4.482881 0.396198 -1.085762
H -3.589032 0.967094 -1.125187
H -3.705758 -0.784356 -0.881858
H -5.175551 1.345133 0.836133
H -5.305070 -0.413732 1.053376
H -2.551777 1.231770 1.155983
H -2.820066 -0.494209 1.488721
H -6.135248 1.125821 -1.498298
H -6.263321 -0.629847 -1.279522
H -0.325449 1.206504 1.364785
H -7.885840 -0.277941 0.652740
H -7.756081 1.490169 0.435943
H -8.492442 0.484884 -0.845049
H 3.508204 -3.027315 1.213154
H 4.939534 -1.945126 1.120594
H 4.340401 -2.785240 -0.359517
H 5.433906 -0.132430 -1.177149


