%chk=000129707.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129707

0 1
 S   -3.234000      -1.557900      0.1201000    
 S    2.232800     -4.6799999E-02  -2.257100    
 N    3.883000     -0.2511000     -0.2379000    
 N    6.684900     -0.7846000     -0.2038000    
 N    1.683200      0.1945000      0.4318000    
 N   -3.818000      0.9361000     -0.1822000    
 N    2.200000      0.3567000       1.741700    
 C   -5.778000     -0.5666000     -0.2285000    
 C    4.827400      0.8527000     -0.1263000    
 C    4.364300      -1.558700      0.1875000    
 C    6.173200      0.4806000     -0.7440000    
 C    5.722400      -1.867600     -0.4384000    
 C   -4.333600     -0.2691000     -0.1152000    
 C    2.594700     -5.2099999E-02 -0.6100000    
 C   0.2706000      0.4326000      0.2696000    
 C   -1.930500     -0.4293000      0.1379000    
 C   -2.440000      0.8606000     -3.9299998E-02
 C   -6.635500      0.7301000     -0.4399000    
 C   -6.338800      -1.280100       1.051100    
 C   -6.186500      -1.510000      -1.419000    
 C  -0.1699000       1.717400      9.9299997E-02
 C  -0.5559000     -0.6682000      0.2968000    
 C   -1.539700       1.948100     -5.8200002E-02
 C   0.7569000       2.890600      7.4800000E-02
 C    1.567000     -0.5582000       2.689100    
 H    4.950500       1.071300      0.9414000    
 H    4.415400       1.750700     -0.6000000    
 H    3.630000      -2.328600     -7.4699998E-02
 H    4.447700      -1.538600       1.280900    
 H    6.898000       1.275900     -0.5396000    
 H    6.078300      0.4023000      -1.834200    
 H    5.610600      -2.031700      -1.517400    
 H    6.116200      -2.795400     -9.9999998E-03
 H    7.566700      -1.013500     -0.6616000    
 H   -7.705300      0.5013000     -0.5040000    
 H   -6.493700       1.429300      0.3925000    
 H   -6.343800       1.245500      -1.362400    
 H   -6.121100     -0.6881000       1.947900    
 H   -7.425900      -1.407900      0.9912000    
 H   -5.899200      -2.273500       1.192200    
 H   -7.272400      -1.648200      -1.471200    
 H   -5.850200      -1.087200      -2.372900    
 H   -5.729700      -2.500800      -1.319600    
 H  -0.1774000      -1.676900      0.4272000    
 H   -1.924300       2.955500     -0.1934000    
 H    2.036700       1.320500       2.027900    
 H    1.634000       2.708900     -0.5522000    
 H   0.2640000       3.777700     -0.3393000    
 H    1.082500       3.140000       1.089400    
 H    1.623500      -1.596100       2.344300    
 H   0.5257000     -0.2939000       2.897400    
 H    2.106400     -0.5053000       3.640400    


%chk=000129707-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129707

0 1
S -2.797680 -1.682250 -0.442431
S 2.256318 1.457207 -1.863085
N 4.033916 0.244378 -0.157122
N 5.949891 -1.764792 -0.843863
N 1.856799 0.680151 0.716140
N -3.777100 0.787934 0.047563
N 2.350533 0.887798 2.053787
C -5.620204 -0.854544 -0.531548
C 5.145491 0.542899 -1.091528
C 4.378415 -0.818824 0.818736
C 5.580857 -0.732218 -1.840875
C 4.826970 -2.090637 0.058416
C -4.187377 -0.414496 -0.281186
C 2.765951 0.747522 -0.363535
C 0.423450 0.790190 0.486207
C -1.662458 -0.345606 -0.004160
C -2.379216 0.874563 0.212815
C -6.566443 0.362018 -0.356488
C -6.003853 -1.967830 0.488848
C -5.746532 -1.411445 -1.980935
C -0.267686 2.027971 0.693625
C -0.267275 -0.394426 0.142849
C -1.671092 2.048114 0.556470
C 0.495564 3.304076 0.992595
C 1.694936 0.064357 3.091048
H 5.999815 0.920575 -0.495815
H 4.803740 1.313149 -1.800806
H 3.511348 -1.042090 1.450367
H 5.202416 -0.464587 1.466508
H 6.461130 -0.502483 -2.468050
H 4.743688 -1.044497 -2.509899
H 3.937111 -2.501019 -0.482496
H 5.159566 -2.845498 0.795005
H 6.376033 -2.597693 -1.268179
H -7.609426 0.042971 -0.537589
H -6.491797 0.779252 0.661969
H -6.310908 1.167485 -1.065574
H -5.918723 -1.598270 1.526291
H -7.049185 -2.283294 0.315587
H -5.353949 -2.855488 0.384529
H -6.792418 -1.716539 -2.168602
H -5.468212 -0.643923 -2.724712
H -5.097106 -2.291887 -2.136416
H 0.304925 -1.313019 -0.013330
H -2.230970 2.979052 0.690978
H 2.345318 1.894916 2.280621
H 1.401563 3.362981 0.362361
H -0.125262 4.189756 0.776612
H 0.798639 3.376035 2.057548
H 1.881526 -1.006090 2.892288
H 0.596169 0.210822 3.167213
H 2.155989 0.320172 4.061351


