%chk=000179448.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179448

0 1
S -4.010766 -1.275255 1.056897
P -2.643049 -0.044131 0.611779
O -1.079134 -0.409845 1.154311
O 2.429956 0.538170 -0.506595
O -2.822490 1.344132 1.465442
O 0.330503 1.305170 -0.771638
N -2.351276 0.231042 -1.068158
C 2.980361 1.886571 -0.796135
C -0.384631 -1.410443 0.509189
C 0.737505 -1.042331 -0.260679
C 1.073724 0.369451 -0.530002
C -0.710335 -2.757229 0.737957
C 1.550977 -2.064975 -0.784768
C 3.023622 2.051485 -2.304830
C 4.345066 1.828310 -0.133540
C -1.769472 2.350250 1.444827
C 0.100419 -3.745937 0.186156
C 1.231382 -3.403250 -0.571367
C -3.554196 0.455397 -1.907244
C -1.920283 3.259670 0.239113
H 2.303711 2.628018 -0.315858
H -1.581633 -3.019657 1.344166
H 2.438639 -1.790478 -1.361056
H 3.546452 1.217517 -2.789880
H 2.009675 2.089809 -2.727502
H 3.537483 2.975554 -2.593733
H 4.965435 1.025247 -0.554233
H 4.256338 1.622590 0.942069
H 4.889072 2.771562 -0.255725
H -1.566103 0.880118 -1.318488
H -1.985708 2.878645 2.397090
H -0.769353 1.879179 1.501135
H -0.144043 -4.797470 0.349913
H 1.860445 -4.187325 -0.989308
H -3.254176 0.385982 -2.969669
H -4.040889 1.434325 -1.758290
H -4.312629 -0.337901 -1.750960
H -2.971043 3.349169 -0.066709
H -1.336153 2.906647 -0.624113
H -1.566105 4.273616 0.463937


%chk=000179448-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179448

0 1
S -4.245540 -1.402873 0.534149
P -2.738555 -0.003484 0.465856
O -1.077431 -0.399771 1.036261
O 2.651456 0.382655 -0.626684
O -2.995064 1.240539 1.638651
O 0.481784 1.179613 -0.835797
N -2.306289 0.603646 -1.071332
C 3.186995 1.731616 -1.057357
C -0.324145 -1.450742 0.491814
C 0.889210 -1.163550 -0.203101
C 1.273970 0.228089 -0.569366
C -0.700493 -2.789268 0.751902
C 1.730482 -2.245366 -0.582991
C 3.203426 1.787759 -2.591111
C 4.568533 1.834703 -0.409321
C -2.111949 2.451516 1.639302
C 0.129114 -3.847837 0.328900
C 1.352874 -3.577854 -0.330759
C -3.211688 0.664023 -2.226087
C -2.843749 3.624486 0.983811
H 2.492372 2.492148 -0.655963
H -1.634032 -2.977155 1.290619
H 2.673930 -2.019175 -1.087821
H 3.832787 0.979308 -3.003446
H 2.183753 1.695360 -3.000920
H 3.621240 2.755306 -2.924271
H 5.238109 1.040728 -0.783841
H 4.496037 1.741473 0.687399
H 5.021405 2.813900 -0.648062
H -1.325540 0.933229 -1.154130
H -1.920868 2.633308 2.710419
H -1.152993 2.225074 1.138373
H -0.172668 -4.881865 0.527652
H 2.004575 -4.399849 -0.643569
H -2.704935 0.266547 -3.124113
H -3.551446 1.697175 -2.434483
H -4.099373 0.036198 -2.030512
H -3.819441 3.791472 1.471313
H -3.015987 3.431641 -0.089398
H -2.242569 4.548675 1.081513


