%chk=000255757.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255757

0 1
S -0.763649 1.742671 -0.000656
O 5.094247 1.881740 0.022387
O 5.195564 -2.704146 0.029982
N 1.975681 1.659990 0.010293
N 3.089858 -1.752696 0.020365
N 0.973268 -0.407455 0.009773
N 5.116677 -0.404798 0.026106
C -4.387077 -0.163199 -0.010628
C -5.801831 0.430698 -0.017206
C -3.318906 0.942817 -0.009565
C -6.869457 -0.671507 -0.019365
C -1.924531 0.333834 -0.002296
C -8.286439 -0.080565 -0.025364
C 3.004665 0.699004 0.015900
C 2.351089 -0.569655 0.015463
C 0.785816 0.959774 0.006757
C 4.436023 0.861148 0.021380
C -9.353055 -1.173192 -0.027438
C 2.180891 3.108418 0.008525
C 4.516066 -1.696340 0.025794
C 2.402308 -3.066142 0.019805
H -4.256943 -0.815357 0.875136
H -4.250543 -0.819780 -0.892156
H -5.940865 1.086283 0.864331
H -5.934031 1.083082 -0.902174
H -3.461081 1.592557 -0.898423
H -3.468164 1.597695 0.874345
H -6.740752 -1.325539 0.864551
H -6.734399 -1.328203 -0.900363
H -1.746360 -0.303256 0.886835
H -1.738945 -0.307345 -0.886972
H -8.418882 0.571949 -0.910600
H -8.425203 0.574759 0.856819
H -9.275584 -1.815698 0.857073
H -9.269026 -1.818755 -0.909120
H -10.360805 -0.742624 -0.031926
H 1.737315 3.571509 -0.893162
H 1.729193 3.574841 0.904455
H 3.269993 3.345028 0.013040
H 6.148203 -0.390526 0.030176
H 1.764791 -3.163018 -0.877164
H 1.762043 -3.162328 0.914887
H 3.146736 -3.885674 0.021301


%chk=000255757-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000255757

0 1
S -0.676314 1.990418 -0.001474
O 5.264052 1.783257 -0.057474
O 5.032772 -2.902374 0.093546
N 2.096805 1.718254 -0.025878
N 2.979626 -1.744935 0.074006
N 0.983980 -0.285758 0.046180
N 5.054420 -0.563130 0.017649
C -4.358699 -0.094505 -0.045280
C -5.817286 0.408500 0.051777
C -3.325516 1.056250 0.040564
C -6.860711 -0.724892 -0.069758
C -1.889119 0.518531 -0.026698
C -8.319326 -0.223365 0.035824
C 3.073269 0.703328 -0.003162
C 2.352758 -0.504149 0.040525
C 0.868397 1.073827 0.005919
C 4.511000 0.760350 -0.018457
C -9.357374 -1.358717 -0.095560
C 2.343945 3.169066 -0.077001
C 4.393355 -1.813922 0.063412
C 2.187030 -2.987465 0.123455
H -4.168323 -0.826399 0.766595
H -4.222259 -0.641866 -1.000601
H -5.960193 0.936496 1.017500
H -5.999622 1.160141 -0.744504
H -3.505037 1.768419 -0.789319
H -3.475223 1.615632 0.984937
H -6.677172 -1.482606 0.720694
H -6.724199 -1.248127 -1.039260
H -1.633183 -0.118191 0.834403
H -1.690085 -0.040412 -0.954839
H -8.500196 0.537318 -0.751019
H -8.456643 0.295434 1.006546
H -9.219720 -2.116443 0.698920
H -9.259325 -1.873982 -1.069703
H -10.390934 -0.974067 -0.019450
H 1.885028 3.602989 -0.982571
H 1.919084 3.662209 0.814734
H 3.432918 3.328519 -0.101940
H 6.077035 -0.626843 0.010533
H 1.535056 -3.057251 -0.763313
H 1.556165 -2.999445 1.028057
H 2.893668 -3.830097 0.142386


