%chk=000122252.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122252

0 1
 S   -1.538500      -1.870200       1.665100    
 O  -0.1370000      0.3489000     -0.8978000    
 N   -4.689500       1.959500     -0.4717000    
 C   -1.275100      0.2803000     -4.3600000E-02
 C   -2.392500       1.127800     -0.6650000    
 C   -3.666000       1.150500      0.1808000    
 C   -1.637500      -1.178300      0.1192000    
 C   0.9940000      0.9101000     -0.3766000    
 C    2.192900      0.1849000     -0.2818000    
 C    3.338700      0.8105000      0.2649000    
 C   -2.046800      -2.039200     -0.8476000    
 C   0.9256000       2.232900      6.1400000E-02
 C    2.280000      -1.147300     -0.7176000    
 C    3.251800       2.142800      0.7006000    
 C    2.052300       2.848100      0.5989000    
 C    4.537700      8.5500002E-02  0.3596000    
 C   -2.294800      -3.333500     -0.3063000    
 C   -2.057800      -3.381400       1.049800    
 C   -5.922800       1.958400      0.3019000    
 C    3.479400      -1.852700     -0.6158000    
 C    4.606100      -1.237500     -7.8299999E-02
 H   -1.048300      0.7047000      0.9455000    
 H   -2.619700      0.7538000      -1.673000    
 H   -2.034200       2.153600     -0.8171000    
 H   -3.434100       1.565600       1.168900    
 H   -4.042500      0.1313000      0.3225000    
 H   -2.167200      -1.781000      -1.891700    
 H   -4.876300       1.589600      -1.403400    
 H   8.5000005E-03   2.808200     -1.7899999E-02
 H    1.419500      -1.658000      -1.143900    
 H    4.120100       2.643900       1.123400    
 H    1.999400       3.878900      0.9371000    
 H    5.430900      0.5462000      0.7763000    
 H   -2.629400      -4.186400     -0.8824000    
 H   -2.164500      -4.231600       1.708600    
 H   -5.764800       2.377300       1.301000    
 H   -6.337400      0.9495000      0.3975000    
 H   -6.668700       2.581600     -0.2011000    
 H    3.533400      -2.882500     -0.9567000    
 H    5.539500      -1.787200      6.0000003E-04


%chk=000122252-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122252

0 1
S -1.704387 -2.514992 2.207241
O 0.000308 -0.449707 -0.017297
N -4.193506 2.038409 -0.896558
C -1.397520 -0.240313 0.486946
C -2.173570 0.661385 -0.497177
C -3.532847 1.128920 0.061570
C -1.987121 -1.612166 0.662813
C 0.970697 0.534333 0.238017
C 2.296763 0.190043 -0.222561
C 3.373371 1.131584 -0.001464
C -2.703538 -2.396163 -0.231329
C 0.732514 1.755987 0.882466
C 2.569321 -1.050600 -0.883553
C 3.104468 2.373286 0.666816
C 1.811789 2.669809 1.095825
C 4.688795 0.788699 -0.459224
C -3.051232 -3.700496 0.275464
C -2.596881 -3.927368 1.565221
C -5.478545 2.591113 -0.429572
C 3.863491 -1.353438 -1.317084
C 4.931874 -0.426314 -1.104377
H -1.329809 0.261826 1.474994
H -2.315177 0.120742 -1.453085
H -1.566309 1.554289 -0.728400
H -3.369344 1.694737 1.002339
H -4.160195 0.242513 0.329553
H -2.974630 -2.054746 -1.233175
H -4.272657 1.609635 -1.828466
H -0.267171 2.039035 1.223164
H 1.744703 -1.752100 -1.036626
H 3.924939 3.080694 0.830973
H 1.603010 3.618638 1.602224
H 5.505288 1.501606 -0.292513
H -3.616863 -4.440510 -0.295531
H -2.714140 -4.810766 2.190281
H -5.304661 3.229190 0.457003
H -6.236693 1.820800 -0.143462
H -5.916385 3.229516 -1.217058
H 4.064051 -2.305150 -1.821425
H 5.942195 -0.674363 -1.448673


