%chk=000121793.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121793

2 1
 S   0.4316000       1.894600      0.7647000    
 S  -0.3060000       1.503000      -1.112800    
 N    3.870800     -0.1869000     -2.8800000E-02
 N   -3.911200     -0.1636000      6.3699998E-02
 C    2.812900      0.8425000     -0.1736000    
 C   -2.871500      0.9056000     -0.2393000    
 C    4.610500     -2.5599999E-02   1.306900    
 C    3.268600      -1.598500     -7.2200000E-02
 C    4.901700     -7.3700003E-02  -1.160600    
 C   -4.276900     -0.8941000      -1.220300    
 C   -5.155500      0.4900000      0.6474000    
 C   -3.341200      -1.155900       1.067100    
 C    1.755100      0.6693000      0.9040000    
 C   -1.589000      0.2676000     -0.7471000    
 C    5.705100      -1.066000       1.399100    
 C    2.532000      -1.785700      -1.380600    
 C    5.570400       1.281800      -1.091800    
 C   -5.310500      -1.955400     -0.9127000    
 C   -5.717500       1.475000     -0.3542000    
 C   -2.979600     -0.4240000       2.341100    
 H    2.429700      0.8148000      -1.196300    
 H    3.268600       1.827700     -2.6799999E-02
 H   -2.734200       1.542300      0.6395000    
 H   -3.260800       1.534900      -1.046500    
 H    4.972500       1.000100       1.415700    
 H    3.902000     -0.2189000       2.117800    
 H    4.079800      -2.331000     -6.7699999E-02
 H    2.648300      -1.776100      0.8100000    
 H    5.600200     -0.9137000      -1.141500    
 H    4.364900     -0.1132000      -2.113400    
 H   -4.595100     -0.1871000      -1.990300    
 H   -3.387400      -1.411300      -1.591700    
 H   -5.876300     -0.2660000      0.9681000    
 H   -4.867100       1.070700       1.528300    
 H   -4.124400      -1.870900       1.334900    
 H   -2.514500      -1.721000      0.6304000    
 H    2.163100      0.8136000       1.906600    
 H    1.260000     -0.3029000      0.8858000    
 H   -1.746100     -0.2410000      -1.700900    
 H   -1.138800     -0.4533000     -6.3800000E-02
 H    5.354700      -2.099500       1.420400    
 H    6.502200     -0.9581000      0.6611000    
 H    6.205800     -0.9274000       2.366900    
 H    1.680800      -1.115300      -1.512000    
 H    3.171100      -1.739500      -2.265000    
 H    2.106700      -2.797500      -1.387100    
 H    4.887300       2.125200      -1.212700    
 H    6.181400       1.432500     -0.1993000    
 H    6.269900       1.355800      -1.934400    
 H   -5.559600      -2.459700      -1.855600    
 H   -6.260700      -1.566200     -0.5421000    
 H   -4.956600      -2.753000     -0.2562000    
 H   -6.609100       1.933500      9.3300000E-02
 H   -6.069700       1.020700      -1.282500    
 H   -5.056200       2.313800     -0.5818000    
 H   -2.546600      -1.156200       3.035200    
 H   -3.835800     -5.9000002E-03   2.875100    
 H   -2.212100      0.3423000       2.221500    


%chk=000121793-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121793

2 1
S 0.451124 1.079048 0.732065
S -0.439807 0.368417 -1.247389
N 4.435639 -0.217070 -0.065122
N -4.441800 -0.178047 0.119801
C 3.071690 0.521127 -0.090555
C -3.077959 0.425108 -0.304303
C 5.085765 -0.025484 1.336173
C 4.257854 -1.737531 -0.335219
C 5.337721 0.386215 -1.184115
C -5.026201 -0.994492 -1.070645
C -5.392184 0.993732 0.510766
C -4.284429 -1.123070 1.344912
C 1.987442 -0.038488 0.845699
C -1.965840 -0.586793 -0.629498
C 6.509215 -0.573536 1.487536
C 3.509239 -2.100587 -1.623998
C 5.731604 1.856523 -1.002484
C -6.454158 -1.519123 -0.878391
C -5.771458 1.951566 -0.624196
C -3.597436 -0.513662 2.573086
H 2.717617 0.492942 -1.134811
H 3.279093 1.571044 0.171850
H -2.757877 1.088361 0.516711
H -3.275367 1.049495 -1.190338
H 5.062210 1.058477 1.536009
H 4.410745 -0.522141 2.053855
H 5.274771 -2.161507 -0.357232
H 3.743479 -2.148115 0.550756
H 6.231955 -0.257158 -1.227704
H 4.778507 0.252545 -2.124493
H -4.968190 -0.334436 -1.952143
H -4.332339 -1.837847 -1.226260
H -6.290269 0.519464 0.939556
H -4.878484 1.539493 1.318930
H -5.304376 -1.449865 1.603688
H -3.732406 -2.007094 0.981869
H 2.259910 0.019873 1.913800
H 1.676971 -1.064946 0.601439
H -2.212800 -1.244639 -1.480567
H -1.654619 -1.198717 0.230012
H 6.573126 -1.666519 1.361309
H 7.234964 -0.090638 0.813092
H 6.839950 -0.355377 2.518471
H 2.473675 -1.720295 -1.653125
H 4.034657 -1.774197 -2.536212
H 3.451630 -3.202431 -1.673108
H 4.872123 2.546856 -1.019649
H 6.324527 2.040958 -0.091757
H 6.372485 2.132694 -1.858617
H -6.727829 -2.075763 -1.792291
H -7.200165 -0.716491 -0.761053
H -6.551630 -2.226320 -0.038566
H -6.450129 2.712021 -0.198558
H -6.321135 1.461263 -1.444156
H -4.911789 2.500091 -1.043030
H -3.552025 -1.298411 3.348976
H -4.158876 0.326880 3.012119
H -2.560414 -0.190200 2.380103


