%chk=000171203.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171203

1 1
 S    2.663700     -0.7892000      0.9683000    
 S   -2.451300     -0.9163000      7.4999998E-03
 N    3.581600       1.177600     -0.2906000    
 N   -3.680400       1.450500     -2.6900001E-02
 N    5.893800      0.6326000     -0.5871000    
 N   -6.042700      0.7568000     -0.1195000    
 C    4.659200      0.3399000     -0.1235000    
 C   -4.720600      0.4811000     -7.1800001E-02
 C    4.336800     -0.8187000      0.5634000    
 C    2.478000      0.7238000      0.2236000    
 C   -4.233600     -0.8319000     -6.2600002E-02
 C   -2.417200      0.8690000      2.3700001E-02
 C    3.693400       2.443800     -0.9808000    
 C   -4.049900       2.849500     -1.7200001E-02
 C    6.616900      -1.487800      0.3397000    
 C   -6.487500      -1.624600     -0.1557000    
 C    5.326800      -1.768300      0.8111000    
 C   -5.115100      -1.894700     -0.1048000    
 C    6.848700     -0.2772000     -0.3519000    
 C   -6.911700     -0.2739000     -0.1606000    
 C    1.214900       1.400100      0.1894000    
 C   -1.225300       1.482400      8.2000002E-02
 C   3.0600000E-02  0.7699000      0.1312000    
 C    4.043200       3.531800      1.4800000E-02
 C   -4.271100       3.355200       1.393500    
 C    7.668200      -2.395300      0.5497000    
 C   -7.431700      -2.663600     -0.2008000    
 C    8.138400     -2.5699999E-02 -0.8086000    
 C   -8.278800     -1.9600000E-02 -0.2107000    
 C    8.948400      -2.116000      8.0899999E-02
 C   -8.793000      -2.377600     -0.2508000    
 C    9.183500     -0.9290000     -0.5996000    
 C   -9.216400      -1.054400     -0.2553000    
 H    2.767200       2.684800      -1.513600    
 H    4.468200       2.381400      -1.753900    
 H   -4.946700       3.031200     -0.6226000    
 H   -3.261800       3.449000     -0.4886000    
 H    5.100600      -2.685100       1.347400    
 H   -4.746500      -2.917000     -9.8399997E-02
 H    1.227800       2.487000      0.1905000    
 H   -1.178000       2.567900      9.8300003E-02
 H   3.5999998E-02 -0.3123000      9.7800002E-02
 H    3.281200       3.628300      0.7941000    
 H    4.132200       4.496500     -0.4941000    
 H    4.996700       3.321400      0.5100000    
 H   -5.084300       2.813900       1.888100    
 H   -3.369800       3.232800       2.003400    
 H   -4.530500       4.418400       1.380700    
 H    7.496400      -3.328900       1.081400    
 H   -7.112400      -3.703600     -0.1973000    
 H    8.351900      0.8974000      -1.345200    
 H   -8.637900       1.008000     -0.2158000    
 H    9.756900      -2.821500      0.2461000    
 H   -9.519200      -3.183900     -0.2856000    
 H    10.17880     -0.7011000     -0.9698000    
 H   -10.27680     -0.8227000     -0.2939000    


%chk=000171203-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171203

1 1
S 2.661774 -1.198691 0.078192
S -2.661529 -1.250216 0.126712
N 3.693370 1.215917 -0.353439
N -3.747341 1.145600 -0.276308
N 6.070559 0.829019 -0.317678
N -6.115647 0.713397 -0.193248
C 4.825701 0.367575 -0.220356
C -4.860580 0.275439 -0.123193
C 4.467868 -1.001227 0.014625
C 2.470995 0.596297 -0.221156
C -4.472113 -1.087120 0.099102
C -2.510924 0.548614 -0.170951
C 3.874814 2.677375 -0.580157
C -3.960926 2.604119 -0.493747
C 6.831073 -1.512910 0.059859
C -6.823685 -1.644041 0.189272
C 5.466766 -1.953367 0.156229
C -5.449627 -2.058712 0.256554
C 7.095642 -0.099847 -0.180260
C -7.120010 -0.235308 -0.038900
C 1.216884 1.232048 -0.301851
C -1.271193 1.208258 -0.276457
C -0.019881 0.567437 -0.191613
C 3.798026 3.487000 0.728696
C -3.870518 3.410964 0.815933
C 7.935493 -2.413616 0.190309
C -7.907709 -2.566410 0.337942
C 8.446442 0.354133 -0.279365
C -8.480966 0.193120 -0.107809
C 9.246100 -1.941332 0.088667
C -9.228892 -2.118979 0.265478
C 9.501733 -0.552080 -0.147019
C -9.515784 -0.733801 0.042024
H 3.123294 3.009856 -1.316804
H 4.874987 2.782212 -1.031908
H -4.972671 2.691379 -0.922863
H -3.232379 2.953242 -1.245662
H 5.246009 -3.010135 0.335109
H -5.205345 -3.111758 0.426518
H 1.210211 2.316101 -0.461729
H -1.288477 2.292258 -0.435808
H -0.007831 -0.521800 -0.029625
H 2.822284 3.374944 1.232974
H 3.948591 4.557481 0.504767
H 4.591422 3.172204 1.426999
H -4.642115 3.078988 1.530537
H -2.881941 3.316054 1.298287
H -4.046315 4.479093 0.599196
H 7.741330 -3.476997 0.370312
H -7.689530 -3.626620 0.508925
H 8.620638 1.418632 -0.459959
H -8.679119 1.254859 -0.279745
H 10.087279 -2.634477 0.188961
H -10.054493 -2.828520 0.379624
H 10.535834 -0.201127 -0.223707
H -10.557780 -0.402422 -0.011488


