%chk=000216893.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216893

0 1
S -6.285809 -0.808638 0.668227
O -1.913696 -1.619630 1.028569
O 0.252147 1.515064 -0.758621
O 7.108913 0.526331 0.782639
O 6.973324 -1.061753 -0.682905
N 0.040052 -0.492533 0.348229
N -3.294610 -1.479770 0.978740
N 6.487335 -0.196568 0.024144
C 2.269023 0.333315 -0.162545
C -3.587899 -0.330386 0.337175
C -1.357576 -0.491607 0.380652
C -2.359755 0.334675 -0.063707
C -4.929608 0.130640 0.105693
C 0.786361 0.559200 -0.250058
C 3.026856 1.146402 0.689678
C 2.875061 -0.646644 -0.959227
C 5.012682 -0.009868 -0.042240
C 4.411532 0.975021 0.753802
C 4.259241 -0.821165 -0.902586
C -5.366410 1.264930 -0.527547
C -6.801798 1.372483 -0.556615
C -7.436913 0.327696 0.049718
H -2.271079 1.267245 -0.590851
H 0.508804 -1.287520 0.794693
H 2.542183 1.917814 1.294147
H 2.275039 -1.264682 -1.631285
H 5.027514 1.599775 1.412449
H 4.758749 -1.578435 -1.519350
H -4.722688 2.015411 -0.967321
H -7.299079 2.213298 -1.022188
H -8.496696 0.170300 0.162492


%chk=000216893-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216893

0 1
S -6.424177 -1.002228 0.063509
O -1.963735 -1.966731 0.213147
O 0.237341 1.628841 -0.074438
O 7.220876 0.998297 0.299180
O 7.052266 -1.192125 -0.318394
N -0.009111 -0.682787 0.095515
N -3.432272 -1.816210 0.183012
N 6.536684 -0.049749 -0.011759
C 2.257309 0.277013 -0.015783
C -3.626196 -0.470700 0.040360
C -1.400862 -0.692043 0.085774
C -2.386442 0.271140 -0.023347
C -4.971027 0.074143 -0.030651
C 0.766739 0.481405 -0.006887
C 3.059828 1.403013 0.305948
C 2.881193 -0.953170 -0.358134
C 5.052942 0.065995 -0.015594
C 4.462201 1.305433 0.313507
C 4.284259 -1.066033 -0.359786
C -5.348222 1.408543 -0.172188
C -6.771957 1.607549 -0.209301
C -7.491148 0.426684 -0.096488
H -2.236181 1.339267 -0.127406
H 0.441601 -1.589286 0.240008
H 2.557992 2.346313 0.541195
H 2.291691 -1.823772 -0.667737
H 5.099556 2.156927 0.564634
H 4.788405 -1.998236 -0.626638
H -4.625788 2.225063 -0.247672
H -7.242628 2.587361 -0.315516
H -8.569938 0.280482 -0.094069


