%chk=000077380.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077380

0 1
 S    1.185000     -0.8497000      -2.461500    
 S    3.878200      0.4375000      -1.927400    
 O  -0.5619000       1.278200      -1.841100    
 O   -3.840700      -1.164000       1.595100    
 N   -2.582800      -3.443000       1.409000    
 N    2.289100     -0.3826000     -6.8899997E-02
 C   -1.086400     -0.7544000     -0.7121000    
 C   -1.947900      -1.387000      0.1867000    
 C   -2.397100       1.411800     -0.4437000    
 C   -3.258300      0.7793000      0.4553000    
 C   -1.279700      0.6680000      -1.060300    
 C   -3.064900     -0.6432000      0.8037000    
 C  -3.0600000E-02  -1.470400      -1.289100    
 C   -1.753800      -2.735900      0.5082000    
 C   0.1593000      -2.814200     -0.9656000    
 C  -0.7003000      -3.445600     -6.8999998E-02
 C   -2.591000       2.760700     -0.7650000    
 C   -4.313700       1.495500       1.032800    
 C   -3.643500       3.470800     -0.1868000    
 C   -4.503200       2.839500      0.7099000    
 C    2.452200     -0.2680000      -1.349200    
 C    4.393600      0.6415000     -0.2948000    
 C    3.408400      0.1411000      0.5617000    
 C    5.584200       1.204000      0.1930000    
 C    3.624700      0.2071000       1.955200    
 C    5.773400       1.257000       1.576200    
 C    4.807700      0.7657000       2.447700    
 H   0.9698000      -3.398600      -1.396200    
 H  -0.5357000      -4.493400      0.1707000    
 H   -1.937200       3.279700      -1.460800    
 H   -4.998900       1.028700       1.735200    
 H   -3.793200       4.517300     -0.4364000    
 H   -5.322100       3.394700       1.158400    
 H   -2.398500      -4.418400       1.603800    
 H   -3.364600      -2.988500       1.858800    
 H    6.342600       1.589600     -0.4815000    
 H    2.876700     -0.1737000       2.644800    
 H    6.687900       1.688400       1.974600    
 H    4.972300      0.8156000       3.520600    


%chk=000077380-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000077380

0 1
S 1.369121 -1.514879 -2.330181
S 3.677348 0.562177 -2.026968
O 0.080359 0.934282 -1.471374
O -4.033151 -1.225351 1.495010
N -3.183077 -3.622427 1.075014
N 2.396188 -0.543312 0.077867
C -0.976543 -1.090922 -0.638042
C -2.060859 -1.635934 0.148248
C -1.949861 1.259127 -0.251688
C -2.996959 0.705971 0.532248
C -0.878478 0.396579 -0.832038
C -3.071114 -0.758452 0.766972
C -0.040792 -1.976820 -1.233303
C -2.178988 -3.069687 0.321188
C -0.184161 -3.382860 -1.069120
C -1.223017 -3.922881 -0.316032
C -1.897640 2.659524 -0.466453
C -3.982947 1.555204 1.095072
C -2.882898 3.498317 0.088627
C -3.928361 2.944473 0.873088
C 2.417315 -0.539694 -1.231000
C 4.192087 0.998765 -0.341497
C 3.372909 0.317541 0.620465
C 5.221266 1.873559 0.054781
C 3.594922 0.527819 2.001582
C 5.427410 2.072405 1.439501
C 4.621593 1.406041 2.401693
H 0.555124 -4.043152 -1.532857
H -1.307258 -5.008609 -0.193156
H -1.074673 3.058629 -1.067027
H -4.774822 1.099277 1.696637
H -2.841748 4.579300 -0.082522
H -4.692168 3.598943 1.306646
H -3.251998 -4.632904 1.177300
H -3.849927 -2.964378 1.514783
H 5.845441 2.391664 -0.679581
H 2.967005 0.004824 2.728816
H 6.220232 2.751528 1.771064
H 4.802220 1.577415 3.468236


