%chk=000021080.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021080

0 1
 S   0.8029000     -0.3755000      -2.204900    
 S   -1.945700      -1.387900      -1.420100    
 N    1.825900     -0.2492000     -0.8853000    
 N   -1.008300      0.9075000     -0.7098000    
 C    1.794800      0.9876000     -0.1072000    
 C    1.928500      -1.393700      1.7899999E-02
 C    3.077300       1.113100      0.7227000    
 C    1.622800       2.188300      -1.043900    
 C   0.7216000      -1.421900      0.9621000    
 C    2.026100      -2.690500     -0.7933000    
 C    3.115500       2.432600       1.492000    
 C    1.662300       3.506200     -0.2721000    
 C   0.7548000      -2.649100       1.871300    
 C    2.058400      -3.915900      0.1184000    
 C    2.932500       3.630500      0.5645000    
 C   0.8641000      -3.942200       1.068100    
 C  -0.7492000     -0.1808000      -1.377300    
 C   -2.953600     -0.3862000     -0.4436000    
 C   -2.279200      0.8059000     -0.1630000    
 C   -4.247900     -0.6373000      3.9500002E-02
 C   -2.925300       1.779600      0.6292000    
 C   -4.864700      0.3427000      0.8212000    
 C   -4.213800       1.536200       1.113400    
 H   0.9555000       1.047400      0.5904000    
 H    2.854000      -1.370800      0.6010000    
 H    3.961800       1.045900      7.5900003E-02
 H    3.167700      0.3351000       1.486000    
 H   0.6990000       2.214000      -1.624000    
 H    2.443700       2.204600      -1.775900    
 H  -0.2316000      -1.498100      0.4748000    
 H   0.6877000     -0.5644000       1.639200    
 H    2.929500      -2.684600      -1.416400    
 H    1.172900      -2.848400      -1.461800    
 H    4.069700       2.522300       2.023800    
 H    2.324600       2.436300       2.252500    
 H   0.7837000       3.574600      0.3814000    
 H    1.604600       4.346400     -0.9736000    
 H  -0.1481000      -2.677200       2.492500    
 H    1.608900      -2.572700       2.555900    
 H    2.988000      -3.913100      0.7010000    
 H    2.066900      -4.828500     -0.4885000    
 H    2.895900       4.552400       1.155600    
 H    3.800800       3.711700     -0.1009000    
 H   0.9555000      -4.793800       1.751500    
 H  -5.7000000E-02  -4.092600      0.4918000    
 H   -4.762100      -1.566900     -0.1845000    
 H   -2.425200       2.715000      0.8638000    
 H   -5.866400      0.1683000       1.205200    
 H   -4.709200       2.286900       1.723100    


%chk=000021080-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000021080

0 1
S 0.522559 -0.434469 -1.959179
S -2.628216 -0.700251 -2.213718
N 1.730920 -0.287541 -0.641696
N -1.416278 0.565180 -0.146977
C 1.945397 1.052859 0.015510
C 1.839683 -1.489987 0.254728
C 3.455966 1.206718 0.355422
C 1.504145 2.242969 -0.864851
C 0.567394 -1.838272 1.070864
C 2.348341 -2.727929 -0.519086
C 3.734219 2.543480 1.085677
C 1.777534 3.590800 -0.151940
C 0.849875 -3.007849 2.046348
C 2.619491 -3.910448 0.445048
C 3.263438 3.749678 0.242443
C 1.370645 -4.254233 1.292028
C -1.139280 -0.098259 -1.243558
C -3.641224 0.083403 -0.924832
C -2.805821 0.680222 0.077735
C -5.045618 0.140225 -0.840834
C -3.398140 1.336786 1.181843
C -5.620255 0.799459 0.270456
C -4.803562 1.391067 1.270922
H 1.351502 1.095408 0.957544
H 2.630623 -1.212219 0.981363
H 4.023679 1.166278 -0.595025
H 3.810271 0.365614 0.980247
H 0.426478 2.167391 -1.089325
H 2.053407 2.206261 -1.826656
H -0.239116 -2.136439 0.371880
H 0.205195 -0.948139 1.617454
H 3.265215 -2.456475 -1.075084
H 1.587588 -3.026839 -1.267474
H 4.815521 2.625052 1.309541
H 3.203873 2.547652 2.060627
H 1.146922 3.651988 0.759024
H 1.463155 4.422025 -0.811912
H -0.069958 -3.255375 2.610636
H 1.607311 -2.690276 2.793834
H 3.457378 -3.645157 1.123535
H 2.947758 -4.795653 -0.133286
H 3.414354 4.693756 0.801215
H 3.882167 3.815063 -0.676116
H 1.606486 -5.065743 2.007678
H 0.570548 -4.635800 0.624730
H -5.681578 -0.312367 -1.607650
H -2.755550 1.791232 1.941766
H -6.710794 0.852165 0.357316
H -5.273047 1.896792 2.121384


