%chk=000227004.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227004

0 1
 S    2.355000       1.900900      0.6096000    
 O    3.423500       2.673300      5.5000000E-03
 O    2.083900       2.008400       2.030300    
 N   0.9077000       2.171400     -0.2523000    
 N  -0.1986000       1.294000      8.4799998E-02
 N    3.434600      -3.815300     -0.6221000    
 C    2.675900      0.2009000      0.2432000    
 C   -2.449600      0.5654000     -0.2799000    
 C   -1.293000       1.448000     -0.5978000    
 C    3.437800     -0.1181000     -0.8669000    
 C    2.158900     -0.7780000       1.073800    
 C   -4.588600      -1.068000      0.3085000    
 C   -3.329400      0.2372000      -1.287900    
 C   -2.598500      0.1079000       1.011200    
 C   -4.412600     -0.5896000     -0.9900000    
 C   -3.681500     -0.7192000       1.309200    
 C    3.178000      -2.459300     -0.3305000    
 C    3.690800      -1.459000      -1.156200    
 C    2.412100      -2.118800      0.7845000    
 C   -1.458900       2.469500      -1.704200    
 C   -5.747300      -1.951500      0.6271000    
 H    3.839000      0.6452000      -1.526200    
 H    1.555800     -0.5332000       1.942600    
 H   0.9779000       2.491900      -1.225200    
 H   -3.203000      0.5718000      -2.312300    
 H   -1.908400      0.3749000       1.805900    
 H   -5.110400     -0.8578000      -1.778900    
 H   -3.810000      -1.082400       2.325500    
 H    4.287600      -1.711700      -2.028900    
 H    2.005700      -2.889300       1.434800    
 H   -1.021700       3.426300      -1.403400    
 H   -2.509700       2.670900      -1.926800    
 H  -0.9586000       2.110300      -2.607900    
 H   -5.503000      -2.647000       1.437400    
 H   -6.607900      -1.347400      0.9309000    
 H   -6.032100      -2.557500     -0.2397000    
 H    3.988200      -4.063000      -1.431300    
 H    3.061400      -4.541000     -2.4599999E-02


%chk=000227004-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227004

0 1
S 2.413170 1.945528 0.636089
O 3.495066 2.817388 -0.215575
O 2.164629 2.130061 2.222770
N 0.768487 2.459215 -0.238616
N -0.252127 1.578691 -0.019591
N 3.333398 -3.933247 -0.482310
C 2.683218 0.134224 0.287905
C -2.442273 0.679992 -0.400755
C -1.360966 1.635665 -0.747701
C 3.477001 -0.223539 -0.818273
C 2.101105 -0.815731 1.148835
C -4.523823 -1.182929 0.292965
C -3.527500 0.429932 -1.283478
C -2.416564 -0.024420 0.838623
C -4.544682 -0.488569 -0.941324
C -3.434795 -0.932781 1.173956
C 3.117729 -2.585128 -0.227551
C 3.696683 -1.587532 -1.072390
C 2.321271 -2.177936 0.887654
C -1.521243 2.657584 -1.860859
C -5.633259 -2.144972 0.678539
H 3.932913 0.552226 -1.442482
H 1.506423 -0.489875 2.007413
H 1.040411 2.741931 -1.203227
H -3.577428 0.934070 -2.254787
H -1.587465 0.168995 1.526206
H -5.366764 -0.667791 -1.645071
H -3.396163 -1.454138 2.138811
H 4.321872 -1.888916 -1.920732
H 1.878208 -2.935397 1.544173
H -1.130302 3.637913 -1.526015
H -2.574500 2.794810 -2.146478
H -0.958686 2.368322 -2.772450
H -5.227650 -3.077962 1.111120
H -6.301504 -1.698496 1.440452
H -6.256520 -2.415095 -0.191468
H 3.904388 -4.232184 -1.267838
H 2.929241 -4.648811 0.115263


