%chk=000019614.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019614

2 1
 S   -7.186100      -1.369900       1.798400    
 S    5.918600     -0.8254000      0.4145000    
 N   -8.921500       1.971100     -0.7020000    
 N    9.893700       1.324400      0.3622000    
 C  -0.8763000      -1.618400     -0.5463000    
 C   0.4391000     -0.8950000     -0.2490000    
 C   -2.025100      -1.041400      0.2835000    
 C    1.583000      -1.448400      -1.100500    
 C   -3.348700      -1.788600      9.3300000E-02
 C    2.905400     -0.7473000     -0.7801000    
 C   -4.528000      -1.282200      0.9341000    
 C    4.057100      -1.336100      -1.601500    
 C   -5.867500      -1.984700      0.7105000    
 C    5.407800     -0.6777000      -1.322700    
 C   -7.873200     -4.7200002E-02  0.8085000    
 C    7.492300      2.5699999E-02  0.3937000    
 C   -7.366800       1.244000      0.9225000    
 C    7.688400       1.147900       1.193100    
 C   -8.914900     -0.3079000     -7.6700002E-02
 C    8.522400     -0.4334000     -0.4216000    
 C   -7.919000       2.249900      0.1424000    
 C    8.919100       1.787800       1.156600    
 C   -9.428000      0.7372000     -0.8315000    
 C    9.732000      0.2465000     -0.4173000    
 C   -9.481900       3.050300      -1.510000    
 C    11.17800       2.018700      0.3456000    
 H   -1.117200      -1.531500      -1.612600    
 H  -0.7641000      -2.686700     -0.3255000    
 H   0.3225000      0.1777000     -0.4455000    
 H   0.6846000      -1.004400      0.8143000    
 H   -2.168300      1.4600000E-02  2.3800001E-02
 H   -1.754700      -1.071800       1.346300    
 H    1.346700      -1.321100      -2.163900    
 H    1.685700      -2.525200     -0.9185000    
 H   -3.629500      -1.738600     -0.9663000    
 H   -3.192700      -2.850500      0.3216000    
 H    2.815100      0.3252000     -0.9905000    
 H    3.098900     -0.8523000      0.2925000    
 H   -4.248800      -1.368000       1.992500    
 H   -4.647100     -0.2105000      0.7310000    
 H    4.130400      -2.414800      -1.413300    
 H    3.830700      -1.222300      -2.669100    
 H   -5.747400      -3.052800      0.9219000    
 H   -6.174400      -1.901200     -0.3376000    
 H    6.161800      -1.145800      -1.963500    
 H    5.361100      0.3849000      -1.585400    
 H   -6.556600       1.479900       1.605700    
 H    6.903800       1.531200       1.838500    
 H   -9.331900      -1.304300     -0.1874000    
 H    8.408200      -1.309800      -1.052100    
 H   -7.572900       3.275400      0.1892000    
 H    9.132000       2.668500       1.750500    
 H   -10.24160      0.5999000      -1.533600    
 H    10.57050     -5.8899999E-02  -1.031500    
 H   -10.30020       3.499300     -0.9410000    
 H   -8.706600       3.792500      -1.719800    
 H   -9.848300       2.646900      -2.458000    
 H    11.12950       2.786100     -0.4314000    
 H    11.36280       2.472500       1.323300    
 H    11.97850       1.305000      0.1321000    


%chk=000019614-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019614

2 1
S -7.251558 -0.804387 1.994822
S 6.161809 -0.513280 0.499561
N -9.713001 1.698318 -0.995516
N 10.501692 1.002709 0.111799
C -0.842560 -1.375291 -0.232227
C 0.492098 -0.595331 -0.183325
C -2.046694 -0.583002 0.328381
C 1.678288 -1.425915 -0.725808
C -3.346627 -1.423111 0.341284
C 3.036049 -0.688154 -0.661502
C -4.552884 -0.660572 0.948407
C 4.186934 -1.560291 -1.216170
C -5.781875 -1.578628 1.054305
C 5.562249 -0.875406 -1.281112
C -8.132381 0.161520 0.780171
C 7.833041 0.071679 0.273422
C -9.316304 0.832598 1.225022
C 8.594053 0.362541 1.450376
C -7.773898 0.309876 -0.592197
C 8.473202 0.275285 -0.985315
C -10.076973 1.580512 0.334121
C 9.903210 0.818230 1.345574
C -8.573102 1.069321 -1.446874
C 9.789860 0.733849 -1.036345
C -10.574628 2.491435 -1.921812
C 11.913659 1.485338 0.049743
H -1.053965 -1.674300 -1.279872
H -0.730579 -2.317669 0.343381
H 0.397290 0.342438 -0.768784
H 0.701685 -0.292543 0.863459
H -2.199826 0.337247 -0.272066
H -1.817649 -0.250644 1.361672
H 1.470143 -1.714979 -1.776956
H 1.750172 -2.372655 -0.151289
H -3.585302 -1.749427 -0.692066
H -3.167619 -2.347270 0.928334
H 2.974201 0.255501 -1.241662
H 3.246168 -0.399203 0.388729
H -4.282391 -0.295514 1.957423
H -4.778573 0.236013 0.337670
H 4.264819 -2.501568 -0.637874
H 3.942342 -1.859362 -2.255945
H -5.562527 -2.464998 1.674460
H -6.151937 -1.938684 0.078405
H 6.313633 -1.539472 -1.741756
H 5.513252 0.089112 -1.815610
H -9.644441 0.762102 2.265464
H 8.163432 0.228534 2.446183
H -6.881548 -0.160569 -1.009056
H 7.961999 0.085365 -1.930716
H -10.988368 2.098546 0.640214
H 10.511884 1.045573 2.223407
H -8.329232 1.195399 -2.503651
H 10.306063 0.897781 -1.984400
H -11.550101 1.993008 -2.043339
H -10.723411 3.504520 -1.515801
H -10.086344 2.569666 -2.903729
H 11.999941 2.451788 0.571491
H 12.581371 0.746658 0.521772
H 12.212159 1.618765 -0.999878


