%chk=000171097.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171097

1 1
 S    2.636900     -0.8555000     -0.7938000    
 S   -2.456000     -0.8655000      2.7000001E-03
 N    3.578600       1.274600      0.1343000    
 N   -3.701400       1.489100     -0.2598000    
 C    4.655500      0.4190000      7.7799998E-02
 C   -4.722000      0.5276000     -0.1290000    
 C    4.323000     -0.8317000     -0.4193000    
 C   -4.246400     -0.7905000      2.1400001E-02
 C    2.465800      0.7518000     -0.2849000    
 C   -2.432500      0.9090000     -0.2103000    
 C    3.686200       2.634700      0.6191000    
 C   -4.038100       2.890400     -0.4218000    
 C    5.970800      0.7133000      0.4637000    
 C   -6.096400      0.7500000     -0.1343000    
 C    6.955900     -0.2829000      0.3396000    
 C   -6.989700     -0.3295000      8.8000000E-03
 C    6.613300      -1.559200     -0.1682000    
 C   -6.488200      -1.650700      0.1595000    
 C    5.288200      -1.839800     -0.5517000    
 C   -5.103400      -1.873100      0.1643000    
 C    1.203000       1.428200     -0.3306000    
 C   -1.238600       1.515500     -0.3022000    
 C   1.7200001E-02  0.8050000     -0.2368000    
 C    4.011600       3.558500     -0.5377000    
 C   -4.183400       3.584500      0.9167000    
 C    8.284600     -2.8200001E-02  0.7149000    
 C   -8.378400     -0.1235000      6.0999999E-03
 C    7.612400      -2.538800     -0.2836000    
 C   -7.391700      -2.715800      0.3019000    
 C    9.263500      -1.014300      0.5929000    
 C   -9.260200      -1.195400      0.1493000    
 C    8.927800      -2.268100      9.4300002E-02
 C   -8.768000      -2.488400      0.2968000    
 H    2.759300       2.948800       1.111800    
 H    4.450200       2.711000       1.399200    
 H   -3.250500       3.398800     -0.9914000    
 H   -4.940800       3.030500      -1.027400    
 H    6.247600       1.691700      0.8456000    
 H   -6.498800       1.753900     -0.2398000    
 H    5.012200      -2.815700     -0.9431000    
 H   -4.702300      -2.877100      0.2785000    
 H    1.212500       2.508300     -0.4508000    
 H   -1.187700       2.593400     -0.4288000    
 H   1.9600000E-02 -0.2675000     -9.2399999E-02
 H    4.965300       3.289800      -1.003100    
 H    4.086700       4.592300     -0.1866000    
 H    3.243300       3.520300      -1.315900    
 H   -4.989800       3.143800       1.511500    
 H   -3.260600       3.512100       1.501900    
 H   -4.410600       4.645400      0.7724000    
 H    8.571500      0.9453000       1.107800    
 H   -8.788700      0.8780000     -0.1076000    
 H    7.374600      -3.527600     -0.6711000    
 H   -7.030800      -3.735700      0.4187000    
 H    10.28710     -0.8023000      0.8875000    
 H   -10.33200      -1.019500      0.1455000    
 H    9.688800      -3.037000     -1.4000000E-03
 H   -9.455600      -3.321900      0.4082000    


%chk=000171097-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171097

1 1
S 2.641752 -1.055763 0.067877
S -2.647257 -1.097566 -0.018261
N 3.705160 1.367144 0.238275
N -3.749944 1.313270 -0.067834
C 4.831719 0.500699 0.193411
C -4.862164 0.427228 -0.080463
C 4.455847 -0.881693 0.113774
C -4.463813 -0.951162 -0.071734
C 2.471463 0.753036 0.157095
C -2.506657 0.715788 -0.009622
C 3.865343 2.844196 0.319267
C -3.935140 2.789747 -0.069633
C 6.180094 0.862175 0.221789
C -6.215880 0.767965 -0.104254
C 7.181577 -0.159446 0.181253
C -7.200557 -0.270307 -0.130287
C 6.789075 -1.557978 0.109607
C -6.785502 -1.664167 -0.128937
C 5.396008 -1.900120 0.074484
C -5.387290 -1.985215 -0.096910
C 1.221985 1.406001 0.136110
C -1.268501 1.387207 0.052774
C -0.017719 0.739751 0.077497
C 3.959442 3.505124 -1.070560
C -4.056049 3.372420 1.352715
C 8.579005 0.166255 0.208197
C -8.602771 0.034056 -0.156782
C 7.806050 -2.567299 0.070892
C -7.786045 -2.690204 -0.156141
C 9.545282 -0.839431 0.168544
C -9.552613 -0.987561 -0.182797
C 9.156793 -2.216456 0.099914
C -9.142022 -2.359858 -0.182821
H 3.021024 3.251842 0.899526
H 4.773579 3.042026 0.912605
H -3.092125 3.243005 -0.616945
H -4.840404 3.004249 -0.661849
H 6.494553 1.909378 0.269142
H -6.547072 1.811066 -0.098720
H 5.099461 -2.952058 0.015840
H -5.073815 -3.033893 -0.092466
H 1.216283 2.501531 0.155033
H -1.281276 2.482035 0.092626
H -0.008361 -0.361044 0.047055
H 4.815643 3.111039 -1.644042
H 4.096358 4.594616 -0.956058
H 3.043329 3.333015 -1.661530
H -4.912784 2.935471 1.893420
H -3.144462 3.182941 1.945386
H -4.208875 4.464319 1.295076
H 8.880675 1.218686 0.261772
H -8.921118 1.082935 -0.157552
H 7.509643 -3.620810 0.017547
H -7.472834 -3.740216 -0.155694
H 10.608682 -0.580405 0.190187
H -10.619867 -0.744881 -0.203733
H 9.927103 -2.993593 0.070083
H -9.899610 -3.149692 -0.203850


