%chk=000059225.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059225

0 1
 S    2.840700      -1.158100      0.4761000    
 S    2.997100      0.8642000      0.3606000    
 N   -3.178800      0.4663000     -6.8000001E-03
 N   0.5519000      -2.466600     -0.1614000    
 N   0.9375000       2.366800     -0.2961000    
 C  -0.8761000      0.1255000     -0.7445000    
 C   -1.807500      0.2726000      0.4512000    
 C   0.5419000     -6.8800002E-02 -0.2990000    
 C    1.159000      -1.243400     -4.3600000E-02
 C    1.353800       1.160500     -0.1209000    
 C   -4.082500      0.6378000       1.131900    
 C   -3.610400     -0.6627000     -0.8324000    
 C    1.232000      -3.688400      0.1383000    
 C    1.941400       3.394400     -5.3500000E-02
 H   -1.139500     -0.7315000      -1.372600    
 H  -0.9562000      0.9976000      -1.406200    
 H   -1.730900     -0.6065000       1.105600    
 H   -1.496500       1.142100       1.044800    
 H   -3.778200       1.497900       1.738900    
 H   -4.108000     -0.2482000       1.776700    
 H   -5.102100      0.8445000      0.7877000    
 H   -3.410800      -1.631200     -0.3592000    
 H   -3.154800     -0.6410000      -1.827000    
 H   -4.689600     -0.6053000      -1.021900    
 H  -0.4231000      -2.502100     -0.4356000    
 H    2.094100      -3.849300     -0.5178000    
 H   0.5498000      -4.529900     -2.3700001E-02
 H    1.548800      -3.734900       1.185800    
 H    2.780200       3.353200     -0.7579000    
 H    2.279800       3.429900      0.9884000    
 H    1.464400       4.365700     -0.2326000    


%chk=000059225-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059225

0 1
S 2.983354 -1.410302 0.529086
S 3.252999 0.842825 0.475589
N -3.174983 0.354471 -0.086838
N 0.590648 -2.509613 -0.178423
N 0.949053 2.371851 -0.170323
C -0.763721 0.076337 -0.796292
C -1.774911 0.213118 0.373079
C 0.667942 -0.056240 -0.299725
C 1.240103 -1.294155 -0.047721
C 1.409719 1.167036 -0.051095
C -4.048025 0.938682 0.952043
C -3.736614 -0.893256 -0.636667
C 1.229084 -3.819423 -0.018672
C 1.766255 3.565727 0.066627
H -1.025227 -0.781691 -1.448167
H -0.843657 0.989191 -1.410676
H -1.658313 -0.652151 1.081523
H -1.502574 1.125565 0.933049
H -3.639858 1.913246 1.272292
H -4.156208 0.292283 1.861057
H -5.057474 1.110851 0.536334
H -3.764196 -1.730421 0.111554
H -3.151792 -1.229880 -1.510432
H -4.770624 -0.714148 -0.981265
H -0.420989 -2.475900 -0.299715
H 2.141262 -3.891722 -0.640788
H 0.529416 -4.602960 -0.352608
H 1.507331 -4.029265 1.033800
H 2.460170 3.752277 -0.779300
H 2.381160 3.483931 0.991321
H 1.108073 4.444835 0.164651


