%chk=000124231.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124231

0 1
 S   -2.490300       1.064000     -0.3867000    
 O   -1.576500       5.984400     -0.7013000    
 N    1.916300     -0.5621000       1.235700    
 N    1.829900      0.7714000      0.9531000    
 N   -3.268800      -1.946600     -0.2277000    
 N    5.068700      -1.869900     -0.2071000    
 N   -5.688900      -4.681700     -0.6907000    
 C  -0.1851000     -9.4400004E-02  0.4955000    
 C   0.6858000      -1.127800      0.9093000    
 C   0.5726000       1.159900      0.5329000    
 C   -1.487300     -0.2986000      0.1117000    
 C    3.160300      -1.285400       1.209700    
 C   7.8999996E-03   2.336300      0.2066000    
 C   -1.941000      -1.618900      0.1392000    
 C   0.2400000      -2.430100      0.9265000    
 C   -1.406000       2.438800     -0.2243000    
 C    3.793100      -1.165500     -0.1707000    
 C   -1.085800      -2.670100      0.5392000    
 C   0.8191000       3.548900      0.2777000    
 C   -1.914600       3.649600     -0.5226000    
 C   -3.766600      -3.284000     -0.2077000    
 C   0.3173000       4.752800     -1.7600000E-02
 C   -1.096700       4.887800     -0.4347000    
 C    5.689100      -1.754300      -1.519600    
 C   -5.210700      -3.319500     -0.6913000    
 C    7.018000      -2.484900      -1.535200    
 H    2.562100       1.429600       1.181500    
 H    3.834200     -0.8504000       1.959200    
 H    3.023900      -2.335200       1.494500    
 H   0.8749000      -3.252600       1.235200    
 H    3.112100      -1.578300     -0.9258000    
 H    3.954100     -0.1087000     -0.4172000    
 H   -1.416200      -3.704900      0.5688000    
 H    1.859400       3.479000      0.5798000    
 H   -3.871800      -1.181300     -0.5088000    
 H   -2.943300       3.787400     -0.8440000    
 H    4.927100      -2.852900      2.3499999E-02
 H   -3.721900      -3.693200      0.8098000    
 H   -3.162100      -3.922900     -0.8646000    
 H   0.9229000       5.649800      3.9099999E-02
 H    5.038500      -2.179600      -2.292700    
 H    5.864200     -0.7009000      -1.766800    
 H   -5.285400      -2.899700      -1.701300    
 H   -5.843000      -2.707200     -3.8400002E-02
 H    7.707200      -2.071400     -0.7909000    
 H    6.888000      -3.552200      -1.326000    
 H    7.489500      -2.390700      -2.518700    
 H   -5.127400      -5.250300      -1.323300    
 H   -6.641500      -4.711100      -1.051300    


%chk=000124231-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124231

0 1
S -2.486290 1.032608 -0.405117
O -1.678608 6.120171 -0.785963
N 1.950319 -0.541502 1.429764
N 1.850095 0.846134 1.036854
N -3.224892 -1.998391 -0.284516
N 5.051813 -1.930129 -0.294542
N -5.813118 -4.663334 -0.834079
C -0.127963 -0.116464 0.525819
C 0.735558 -1.139499 1.004538
C 0.565322 1.140556 0.578918
C -1.442644 -0.363478 0.111028
C 3.274701 -1.176100 1.240015
C 0.020506 2.396372 0.236349
C -1.922940 -1.708250 0.120766
C 0.291061 -2.474363 1.023850
C -1.355942 2.506634 -0.223853
C 3.721605 -1.296441 -0.237787
C -1.025507 -2.733649 0.572976
C 0.778186 3.624719 0.312450
C -1.918522 3.725583 -0.561615
C -3.786175 -3.350669 -0.321406
C 0.234223 4.850723 -0.018954
C -1.159937 4.982523 -0.475979
C 5.757960 -1.807918 -1.592748
C -5.287227 -3.301036 -0.680563
C 7.126522 -2.507216 -1.537234
H 2.448420 1.500915 1.542825
H 4.034656 -0.607250 1.804665
H 3.208613 -2.174245 1.711477
H 0.918887 -3.296356 1.379269
H 2.934171 -1.832075 -0.821512
H 3.804236 -0.281217 -0.669255
H -1.379317 -3.768604 0.578917
H 1.828070 3.573841 0.633023
H -3.760044 -1.257713 -0.740823
H -2.954274 3.805661 -0.909076
H 5.024544 -2.911036 0.019683
H -3.683562 -3.843703 0.664211
H -3.254590 -3.989399 -1.064354
H 0.823062 5.772675 0.040841
H 5.162588 -2.220895 -2.444509
H 5.899639 -0.729106 -1.799267
H -5.417314 -2.658096 -1.587732
H -5.832909 -2.804508 0.142727
H 7.743842 -2.081620 -0.727003
H 7.014805 -3.592979 -1.351049
H 7.665848 -2.385942 -2.493480
H -5.499452 -5.160505 -1.671016
H -6.812724 -4.773025 -0.656033


