%chk=000227021.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227021

0 1
 S   0.1759000      -2.965600     -0.8185000    
 O   0.5847000      -4.243100     -0.2668000    
 O  -3.3500001E-02  -2.813600      -2.245400    
 O    3.992400       2.761300     -0.8710000    
 N   -1.208400      -2.419800      1.6300000E-02
 N   -1.639900      -1.073700     -0.3014000    
 N    4.196400       1.090300      0.7798000    
 C    1.375100      -1.756400     -0.3424000    
 C   -2.673600     -0.5961000      0.3262000    
 C   -3.455900      -1.368600       1.384000    
 C   -3.110200      0.7991000     -1.6600000E-02
 C    1.526500     -0.6164000      -1.112000    
 C    2.138600      -1.973300      0.7909000    
 C    3.251200      0.1359000      0.4034000    
 C    2.472300      0.3375000     -0.7361000    
 C    3.084300      -1.019500       1.166900    
 C   -2.853600      -1.183500       2.767700    
 C   -3.713000       1.550200      0.9603000    
 C   -2.885600       1.255800      -1.290300    
 C   -4.118800       2.846300      0.6417000    
 C   -3.291400       2.551700      -1.609100    
 C   -3.908000       3.347000     -0.6430000    
 C    4.503200       2.301600      0.1452000    
 C    5.591400       3.052900      0.8703000    
 H   -4.495500      -1.021200       1.387300    
 H   -3.506700      -2.430200       1.121800    
 H   0.9251000     -0.4384000      -1.998200    
 H    2.017600      -2.862700       1.401600    
 H   -1.381700      -2.773600      0.9632000    
 H    2.542700       1.206300      -1.375600    
 H    3.683000      -1.188600       2.058300    
 H   -1.886900      -1.693000       2.839500    
 H   -2.674000     -0.1388000       3.029400    
 H   -3.512900      -1.618200       3.525700    
 H   -3.905300       1.201600       1.965600    
 H   -2.415500      0.6490000      -2.057700    
 H    4.724200      0.8701000       1.621900    
 H   -4.601000       3.465300       1.392700    
 H   -3.129200       2.941100      -2.609900    
 H   -4.224900       4.355600     -0.8915000    
 H    5.256600       3.303700       1.880700    
 H    5.825200       3.976500      0.3335000    
 H    6.493700       2.437500      0.9261000    


%chk=000227021-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227021

0 1
S 0.184830 -2.479362 -0.834237
O 0.507119 -4.017239 -0.396082
O -0.316441 -2.073887 -2.328212
O 4.786528 2.839740 -0.775609
N -1.148627 -1.951366 0.537412
N -1.838518 -0.847145 0.140301
N 4.956476 0.973475 0.641181
C 1.636476 -1.391903 -0.388009
C -3.054177 -0.563622 0.597955
C -3.753809 -1.453616 1.616081
C -3.668413 0.697872 0.111226
C 1.809734 -0.181564 -1.077101
C 2.513800 -1.840851 0.613565
C 3.821704 0.210257 0.259286
C 2.914538 0.631730 -0.752977
C 3.615629 -1.028480 0.932520
C -3.202185 -1.253214 3.055009
C -4.797534 1.273272 0.758470
C -3.131165 1.358327 -1.032491
C -5.371544 2.470706 0.277034
C -3.706530 2.549664 -1.511067
C -4.831422 3.113765 -0.859269
C 5.390695 2.208868 0.137883
C 6.666788 2.743222 0.781749
H -4.841514 -1.275225 1.595091
H -3.618250 -2.518833 1.327240
H 1.106059 0.111334 -1.862301
H 2.347636 -2.802715 1.108065
H -1.670846 -2.845569 0.708525
H 3.085713 1.579943 -1.264334
H 4.321026 -1.356515 1.705990
H -2.114180 -1.440753 3.088745
H -3.378576 -0.220265 3.403572
H -3.694870 -1.944884 3.761500
H -5.225750 0.800205 1.648884
H -2.266353 0.911316 -1.532163
H 5.531572 0.563154 1.380269
H -6.238263 2.901607 0.790631
H -3.285426 3.038826 -2.396462
H -5.280305 4.040226 -1.234292
H 6.463018 3.743114 1.201492
H 7.435421 2.869759 -0.000087
H 7.074539 2.098629 1.579516


