%chk=000146023.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146023

0 1
 S    2.099100       2.169100      7.8000002E-02
 O    2.914100       2.491100      -1.077800    
 O    1.711300       3.210400       1.010300    
 O    2.478600      -1.682800       2.154400    
 O   -6.004100     -0.1322000     -0.6728000    
 O  -0.3143000      -2.824100      -1.671700    
 O   -1.411000      -4.246600     -0.2856000    
 N    2.822600      0.9026000      0.9455000    
 N    1.359200      -1.965900      0.1411000    
 N   -3.834400     -0.4667000      0.1897000    
 N   -4.755900       1.727800     -0.1917000    
 N   -5.766900       2.561300     -0.6365000    
 C    3.167400     -0.3640000      0.2516000    
 C    4.672800     -0.6110000      0.3858000    
 C    5.554600      0.3958000     -0.3805000    
 C   0.6092000       1.412800     -0.4990000    
 C    7.047600      0.1088000     -0.2159000    
 C    5.186700      0.3776000      -1.866800    
 C    2.322200      -1.405500      0.9668000    
 C  -0.4430000       1.076000      0.3591000    
 C   -1.601700      0.4711000     -0.1835000    
 C   0.5374000       1.165400      -1.865500    
 C   -2.662800      0.1304000      0.6712000    
 C  -0.3795000       1.322400       1.740200    
 C   -1.665500      0.2251000      -1.564700    
 C  -0.6020000      0.5706000      -2.399000    
 C   -2.582500      0.3823000       2.041100    
 C   -1.443100      0.9773000       2.574500    
 C   0.4172000      -2.958100      0.6043000    
 C   -3.951900      -1.952100      0.1126000    
 C   -4.951100      0.3474000     -0.2412000    
 C  -0.5303000      -3.416400     -0.4743000    
 H    2.879900     -0.3314000     -0.8000000    
 H    4.958400     -0.5916000       1.446400    
 H    4.895400      -1.627700      3.5200000E-02
 H    5.368700       1.403700      9.6000005E-03
 H    2.836800      0.9059000       1.972600    
 H    7.331200      0.1405000      0.8413000    
 H    7.650200      0.8528000     -0.7473000    
 H    7.306800     -0.8812000     -0.6059000    
 H    5.833300       1.065700      -2.423600    
 H    5.331400     -0.6222000      -2.291900    
 H    4.161800      0.6784000      -2.076700    
 H    1.344200       1.413400      -2.547800    
 H    1.300200      -1.672300     -0.8293000    
 H   0.4830000       1.739900       2.243000    
 H   -2.535500     -0.2363000      -2.025300    
 H  -0.6635000      0.3729000      -3.465200    
 H   -3.402400      0.1173000       2.704200    
 H   -1.378100       1.163700       3.642700    
 H   0.9856000      -3.817800      0.9716000    
 H  -0.1598000      -2.517400       1.422900    
 H   -3.435500      -2.402200      0.9649000    
 H   -3.496000      -2.281200     -0.8247000    
 H   -5.003600      -2.248500      0.1237000    
 H   -3.909000       2.163400      0.1558000    
 H  -0.9462000      -3.134600      -2.354700    
 H   -5.366200       3.143800      -1.370600    
 H   -5.988700       3.191600      0.1331000    


%chk=000146023-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000146023

0 1
S 1.910450 2.109234 -0.628858
O 2.582026 1.971075 -2.108943
O 1.911545 3.517328 0.173302
O 1.343215 -1.351800 0.883100
O -6.575005 0.127998 0.523857
O 2.147088 -4.032377 -3.083578
O 0.354222 -5.329937 -2.359528
N 2.899984 0.925200 0.440349
N 2.077298 -2.349529 -1.077503
N -4.275284 0.103231 1.027092
N -5.368602 2.122485 0.425163
N -6.490838 2.895099 0.038861
C 3.266485 -0.326525 -0.260996
C 4.601056 -0.857858 0.343077
C 5.789200 0.129270 0.213014
C 0.127544 1.421202 -0.783578
C 7.029203 -0.468281 0.919480
C 6.105981 0.474026 -1.261498
C 2.145676 -1.380994 -0.106331
C -0.785351 1.470126 0.318887
C -2.069113 0.820047 0.109084
C -0.160469 0.848644 -2.015444
C -3.023958 0.801787 1.192325
C -0.513767 2.104616 1.576514
C -2.368512 0.225756 -1.160597
C -1.443211 0.247390 -2.204744
C -2.716855 1.413570 2.412258
C -1.465616 2.074711 2.597327
C 1.059591 -3.399677 -1.013671
C -4.307694 -1.341053 1.332679
C -5.472950 0.745807 0.654641
C 1.116700 -4.360855 -2.186959
H 3.429256 -0.078006 -1.327004
H 4.433054 -1.099675 1.411308
H 4.856063 -1.808983 -0.170204
H 5.498696 1.064118 0.729707
H 2.315694 0.713007 1.278807
H 6.819924 -0.697322 1.981516
H 7.878346 0.238659 0.887193
H 7.353594 -1.405933 0.426708
H 7.001995 1.118667 -1.321678
H 6.315536 -0.443384 -1.847909
H 5.278517 1.021705 -1.747854
H 0.584949 0.877208 -2.817349
H 2.707747 -2.347999 -1.882894
H 0.424840 2.650648 1.715514
H -3.352524 -0.233590 -1.298331
H -1.692011 -0.190816 -3.176420
H -3.451743 1.380227 3.223623
H -1.253216 2.565710 3.552561
H 1.154742 -3.988285 -0.080630
H 0.044415 -2.957087 -0.978609
H -4.053138 -1.527519 2.392673
H -3.592429 -1.895311 0.696565
H -5.330728 -1.698472 1.134502
H -4.496330 2.635277 0.550763
H 2.162075 -4.676921 -3.840678
H -6.854694 2.578480 -0.870895
H -7.230268 2.844383 0.753935


