%chk=000150952.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150952

1 1
 S    2.335400       2.973600      -1.296100    
 O    2.957900     -0.9414000      0.1660000    
 O    2.088900      -1.182400      -1.952000    
 N   0.3670000       2.633600      0.2184000    
 N   -3.927200      0.5089000      1.1000000E-02
 N   -2.028000     -0.2424000      -1.268100    
 N   -3.730100       2.378100       1.457100    
 C    1.372200       1.885500      0.7897000    
 C    2.514700       1.972400      7.0299998E-02
 C  -0.9646000       2.730400      0.7670000    
 C    3.850700       1.318400      0.3322000    
 C   0.7020000       3.269800     -0.8833000    
 C   -1.829300       1.642900      0.1907000    
 C    1.074900       1.143700       2.023900    
 C    3.959000     -4.9600001E-02 -0.3360000    
 C   -3.148100       1.482800      0.5260000    
 C   -1.307400      0.7546000     -0.7138000    
 C   -3.312000     -0.3061000     -0.8669000    
 C    2.070200      -1.449500     -0.7430000    
 C    1.106900      -2.337000     -0.1115000    
 C   -4.141000      -1.395500      -1.458000    
 C   0.1181000      -2.952200     -0.8791000    
 C    1.171300      -2.572600       1.261800    
 C  -0.8063000      -3.803300     -0.2735000    
 C   0.2468000      -3.423600       1.867400    
 C  -0.7420000      -4.038900       1.099800    
 H   -1.386300       3.709300      0.5024000    
 H  -0.9405000       2.680200       1.859500    
 H    3.979000       1.204500       1.415600    
 H    4.669000       1.962300     -1.2000000E-02
 H   3.2900002E-02   3.898000      -1.455300    
 H    1.923000      0.5260000       2.335100    
 H   0.8696000       1.828600       2.852700    
 H   0.2242000      0.4676000       1.902500    
 H    4.930700     -0.4908000     -8.7499999E-02
 H    3.930000      5.5700000E-02  -1.426200    
 H  -0.2881000      0.7548000      -1.073700    
 H   -3.148400       2.773300       2.184700    
 H   -4.708900       2.230300       1.671800    
 H   -4.290200      -2.188800     -0.7195000    
 H   -5.118300      -1.008400      -1.762700    
 H   -3.656000      -1.827900      -2.338900    
 H   4.9100000E-02  -2.781000      -1.950100    
 H    1.924000      -2.117000       1.898700    
 H   -1.577600      -4.280700     -0.8708000    
 H   0.2962000      -3.607200       2.936800    
 H   -1.462500      -4.700700       1.571500    


%chk=000150952-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150952

1 1
S 2.570785 2.736194 -1.402628
O 3.242893 -1.201482 0.391540
O 1.573696 -0.475007 -1.059341
N 0.389781 2.808156 -0.022999
N -4.195765 0.929697 -0.114694
N -2.338530 -0.311599 -1.061025
N -3.951938 3.023804 0.863720
C 1.289969 2.101475 0.823743
C 2.537837 1.956791 0.236821
C -1.045211 3.049334 0.317760
C 3.764393 1.241131 0.725278
C 0.901318 3.194308 -1.209300
C -1.951546 1.889722 -0.063112
C 0.834830 1.588762 2.159929
C 4.091160 -0.071390 -0.039339
C -3.357717 1.953729 0.231645
C -1.509588 0.721934 -0.716398
C -3.667377 -0.160668 -0.743994
C 1.997804 -1.354025 -0.259367
C 1.309487 -2.605831 0.122257
C -4.613923 -1.271296 -1.109701
C -0.004455 -2.832586 -0.374960
C 1.936262 -3.575776 0.954021
C -0.679889 -4.022441 -0.038938
C 1.252581 -4.763337 1.280859
C -0.054991 -4.988939 0.785392
H -1.345810 3.981295 -0.200512
H -1.087985 3.254818 1.404828
H 3.657185 1.004072 1.798081
H 4.647747 1.903839 0.640214
H 0.332372 3.727671 -1.966859
H 1.620166 0.973179 2.622392
H 0.603884 2.412620 2.860210
H -0.063822 0.954367 2.059069
H 5.112232 -0.393660 0.216587
H 3.998904 0.064979 -1.132181
H -0.454777 0.569402 -0.978835
H -3.455801 3.859453 1.159791
H -4.959249 2.967866 1.017050
H -5.066588 -1.706490 -0.200453
H -5.446000 -0.881394 -1.721474
H -4.082228 -2.056086 -1.666707
H -0.493477 -2.084831 -1.008656
H 2.949148 -3.395926 1.324153
H -1.690354 -4.197660 -0.421888
H 1.735353 -5.514545 1.914072
H -0.581867 -5.915330 1.038547


