%chk=000178598.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178598

0 1
 S  -0.1411000      -2.104700       1.986700    
 P  -2.4599999E-02  -1.036000      0.3460000    
 O   0.1267000      -1.955900     -0.9985000    
 N    1.224700      5.6299999E-02  0.2594000    
 N   -1.370600     -0.1212000      9.8999999E-03
 C    1.407200      0.7341000      -1.031300    
 C    2.514400     -0.3868000      0.8058000    
 C   -1.639600      0.9987000      0.9221000    
 C   -2.603200     -0.8633000     -0.2870000    
 C    2.364300       1.920300     -0.9350000    
 C    3.505600      0.7647000      0.9616000    
 C   -2.699700       1.952400      0.3752000    
 C   -3.692800      3.1500001E-02 -0.8737000    
 C    3.708700       1.502300     -0.3550000    
 C   -3.988400       1.214400      3.8500000E-02
 C    1.308400      -2.706800      -1.224800    
 H   0.4493000       1.116400      -1.399900    
 H    1.777300      4.0600002E-02  -1.792300    
 H    2.966200      -1.158800      0.1758000    
 H    2.388100     -0.8192000       1.802100    
 H  -0.7289000       1.582700       1.092300    
 H   -1.957100      0.6199000       1.901400    
 H   -2.979300      -1.354100      0.6190000    
 H   -2.396200      -1.656100      -1.014400    
 H    1.919300       2.699100     -0.3026000    
 H    2.510800       2.360700      -1.927800    
 H    4.466900      0.3812000       1.322300    
 H    3.136600       1.466400       1.720500    
 H   -2.316100       2.448600     -0.5253000    
 H   -2.905500       2.738800       1.110100    
 H   -4.607100     -0.5518000      -1.030600    
 H   -3.375000      0.3990000      -1.857700    
 H    4.229100      0.8491000      -1.066200    
 H    4.342800       2.382100     -0.2005000    
 H   -4.460300      0.8578000      0.9623000    
 H   -4.697600       1.895300     -0.4446000    
 H    1.735800      -3.078500     -0.2910000    
 H    2.043200      -2.114300      -1.771600    
 H    1.045600      -3.570000      -1.842600    


%chk=000178598-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178598

0 1
S 0.389562 -2.398509 2.014012
P 0.166484 -1.255611 0.276319
O -0.063743 -2.206792 -1.194134
N 1.482443 -0.155232 0.009776
N -1.238919 -0.226795 0.039274
C 1.548615 0.629602 -1.248172
C 2.744683 -0.229284 0.776422
C -1.392769 0.869967 1.037416
C -2.534191 -0.866481 -0.327824
C 2.032674 2.067156 -0.953928
C 3.239850 1.195747 1.110111
C -2.304011 1.971354 0.457602
C -3.471248 0.197959 -0.937501
C 3.367758 2.050949 -0.172863
C -3.671134 1.388007 0.029814
C 0.675944 -3.476774 -1.297394
H 0.546901 0.634697 -1.710013
H 2.253163 0.139830 -1.957350
H 3.521890 -0.758937 0.179993
H 2.561651 -0.817623 1.692968
H -0.392310 1.273604 1.272681
H -1.831988 0.474949 1.982577
H -3.012889 -1.317229 0.572542
H -2.330461 -1.670144 -1.051674
H 1.258946 2.592244 -0.359882
H 2.146826 2.614647 -1.909812
H 4.213995 1.127313 1.631802
H 2.521061 1.669583 1.807158
H -1.802004 2.427788 -0.418071
H -2.439014 2.764882 1.218072
H -4.442577 -0.275200 -1.179463
H -3.027988 0.558134 -1.886101
H 4.162819 1.622678 -0.818820
H 3.680420 3.082059 0.078572
H -4.217118 1.039621 0.931101
H -4.294634 2.170725 -0.442044
H 0.627554 -4.040224 -0.346270
H 1.733558 -3.293605 -1.566120
H 0.178100 -4.040154 -2.102174


