%chk=000011259.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011259

0 1
 S    1.248600      -2.250200     -0.1979000    
 O  -0.8451000     -0.9290000       1.677500    
 O    1.326600      -2.759800       1.157500    
 O    1.653300      -3.076800      -1.318700    
 N   -2.390900     -0.6516000     -1.8900000E-02
 N  -0.3228000      -1.641500     -0.4846000    
 N    3.397100       1.887100       1.977000    
 C   -3.420900     -2.5900001E-02  0.7801000    
 C   -3.228500       1.493400      0.8350000    
 C   -4.816700     -0.3907000      0.2636000    
 C   -3.560600       2.173400     -0.4932000    
 C   -5.146200      0.2924000      -1.063800    
 C   -4.958200       1.804100     -0.9810000    
 C   -1.176900      -1.054800      0.5025000    
 C    2.206800     -0.7674000     -0.2842000    
 C    2.421600     -3.2699998E-02  0.8693000    
 C    2.724900     -0.3679000      -1.504100    
 C    3.177900       1.137400      0.8005000    
 C    3.707600       1.554700     -0.4206000    
 C    3.481100      0.8021000      -1.572800    
 C    4.521200       2.803700     -0.5233000    
 H   -3.323300     -0.4174000       1.800500    
 H   -2.199600       1.741600       1.121900    
 H   -3.882100       1.906500       1.614000    
 H   -5.563000     -8.9000002E-02   1.009600    
 H   -4.906900      -1.477200      0.1451000    
 H   -2.820800       1.886900      -1.250500    
 H   -3.488400       3.260700     -0.3760000    
 H   -6.182800      6.8499997E-02  -1.340800    
 H   -4.514500     -0.1129000      -1.862900    
 H   -5.705400       2.226900     -0.2980000    
 H   -5.136200       2.252600      -1.964800    
 H   -2.541200     -0.7602000      -1.016900    
 H  -0.6948000      -1.744500      -1.437200    
 H    2.008500     -0.3505000       1.822600    
 H    2.553300     -0.9348000      -2.413800    
 H    3.884800       1.113600      -2.532600    
 H    3.929700       3.673700     -0.2192000    
 H    5.415600       2.732600      0.1045000    
 H    4.859800       2.985400      -1.549300    
 H    3.940100       2.738900       1.958200    
 H    3.004300       1.569000       2.853400    


%chk=000011259-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000011259

0 1
S 1.223620 -2.073952 -0.596461
O -0.615906 -0.241644 1.184466
O 1.223576 -2.939214 0.768470
O 1.459565 -2.794728 -2.037088
N -2.533031 -0.554338 -0.120838
N -0.453098 -1.335757 -0.884336
N 3.444925 1.848700 2.101646
C -3.419905 0.212503 0.788299
C -3.407269 1.731063 0.459220
C -4.859052 -0.355430 0.712556
C -4.092344 2.041941 -0.891686
C -5.557204 -0.037727 -0.634186
C -5.535042 1.480815 -0.935258
C -1.177820 -0.687172 0.137339
C 2.388892 -0.602254 -0.446731
C 2.441927 0.068984 0.776884
C 3.177519 -0.306207 -1.568411
C 3.365221 1.144278 0.902490
C 4.204284 1.493864 -0.210610
C 4.090641 0.763444 -1.414314
C 5.194384 2.633961 -0.077226
H -3.009860 0.066369 1.803868
H -2.362432 2.091899 0.467033
H -3.941101 2.262460 1.273572
H -5.445404 0.105180 1.531823
H -4.841080 -1.445786 0.900961
H -3.498068 1.598193 -1.716973
H -4.102483 3.134821 -1.065452
H -6.598923 -0.410261 -0.607299
H -5.062782 -0.582684 -1.467553
H -6.151857 2.006993 -0.177381
H -5.997471 1.682227 -1.920693
H -2.937887 -0.950289 -0.969668
H -0.883892 -1.764895 -1.712665
H 1.764138 -0.208392 1.589840
H 3.096435 -0.887587 -2.490214
H 4.736944 1.034508 -2.257020
H 4.687001 3.593546 0.150169
H 5.927847 2.446670 0.733144
H 5.765034 2.777485 -1.009201
H 4.094602 2.619198 2.219421
H 2.834354 1.609617 2.877762


