%chk=000060031.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060031

0 1
 S   -1.254900     -0.9335000       1.025500    
 S   -4.067400     -0.1792000      0.4717000    
 N   -3.059500      -2.711800      3.4699999E-02
 N    1.815000     -0.9847000     -0.3794000    
 N    1.214400       1.298600     -4.6900000E-02
 C   -4.344900      -3.209800     -0.4612000    
 C   -1.998300      -3.723400      3.5500001E-02
 C   -2.879400      -1.380900      0.4606000    
 C  -0.5458000     -0.3903000     -0.5473000    
 C   -4.485500      -2.992500      -1.953700    
 C   -1.926300      -4.451300       1.361800    
 C   0.8999000      5.9200000E-02 -0.3129000    
 C   0.2473000       2.311500      1.4200000E-02
 C    3.217300     -0.9679000     -0.2166000    
 C   -1.673800       4.326000      0.1360000    
 C  -8.0200002E-02   3.028500      -1.134500    
 C  -0.3822000       2.598000       1.223500    
 C   -1.041900       4.037000      -1.073500    
 C   -1.344000       3.606500       1.284500    
 C    3.872100      -2.088000      0.2939000    
 C    3.945400      0.1682000     -0.5671000    
 C   -2.703200       5.403200      0.2001000    
 C    5.257700      -2.071900      0.4541000    
 C    5.331000      0.1843000     -0.4069000    
 C    5.987100     -0.9358000      0.1038000    
 H   -5.168900      -2.714000      6.0500000E-02
 H   -4.435800      -4.276200     -0.2242000    
 H   -1.027800      -3.276700     -0.1913000    
 H   -2.187200      -4.440500     -0.7722000    
 H   -1.147400      0.4068000     -0.9882000    
 H  -0.5499000      -1.220900      -1.261200    
 H   -5.452400      -3.368900      -2.302100    
 H   -3.699700      -3.518800      -2.505600    
 H   -4.419400      -1.933000      -2.219000    
 H   -1.130400      -5.202200       1.339600    
 H   -2.868100      -4.964400       1.582600    
 H   -1.723100      -3.767100       2.191100    
 H    1.437300      -1.927700     -0.4391000    
 H   0.4076000       2.810300      -2.080900    
 H  -0.1271000       2.048500       2.125500    
 H   -1.289200       4.591400      -1.974900    
 H   -1.827400       3.823900       2.233300    
 H    3.315100      -2.979100      0.5716000    
 H    3.477100       1.044900      -1.002400    
 H   -3.453200       5.187800      0.9687000    
 H   -3.237700       5.495900     -0.7514000    
 H   -2.229300       6.362300      0.4314000    
 H    5.768700      -2.944000      0.8514000    
 H    5.900500       1.065500     -0.6877000    
 H    7.066200     -0.9240000      0.2266000    


%chk=000060031-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060031

0 1
S -2.019008 -0.715604 -0.087475
S -1.279002 -2.592327 -2.511117
N -2.679353 -3.336068 -0.286807
N 1.182324 -0.560133 -1.323584
N 0.982303 1.603361 -0.374443
C -2.804815 -4.709871 -0.857685
C -3.312298 -3.138158 1.049035
C -2.019369 -2.356544 -0.971574
C -1.046533 0.402405 -1.272606
C -1.616473 -5.611657 -0.468953
C -4.786842 -2.693297 0.951067
C 0.433700 0.541431 -0.925232
C 0.259602 2.690139 0.168259
C 2.557862 -0.848775 -1.140698
C -1.030105 4.987249 1.328609
C 0.631432 4.011385 -0.214671
C -0.752238 2.539406 1.160497
C -0.010899 5.130299 0.347188
C -1.378223 3.672580 1.726000
C 3.020300 -2.103455 -1.634075
C 3.475456 0.031527 -0.503627
C -1.698456 6.206226 1.941767
C 4.371655 -2.471716 -1.490171
C 4.826409 -0.355803 -0.365870
C 5.287459 -1.600126 -0.852666
H -2.870429 -4.618885 -1.954618
H -3.757197 -5.128750 -0.483785
H -2.721145 -2.402845 1.622606
H -3.234121 -4.101379 1.585088
H -1.558389 1.372932 -1.204716
H -1.188996 -0.043120 -2.275015
H -1.762109 -6.624200 -0.886557
H -1.517168 -5.703849 0.627830
H -0.677277 -5.200692 -0.875500
H -5.215494 -2.589391 1.964177
H -5.392419 -3.433212 0.397644
H -4.870007 -1.720368 0.438423
H 0.632376 -1.293916 -1.799564
H 1.427388 4.132519 -0.956928
H -1.014566 1.535128 1.514896
H 0.287327 6.136460 0.025649
H -2.147357 3.529427 2.495352
H 2.314449 -2.783687 -2.127763
H 3.113405 0.993687 -0.138072
H -2.503613 5.917101 2.639416
H -2.142709 6.858031 1.165851
H -0.973139 6.823538 2.506078
H 4.710390 -3.439924 -1.876179
H 5.525531 0.329405 0.127618
H 6.338778 -1.886686 -0.741099


