%chk=000059010.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059010

0 1
 S    1.683800       1.037800       1.050400    
 N   -3.974600       1.718600     -0.4910000    
 N   -3.915600      -2.224400       1.984700    
 C   -3.272400      -1.864500     -0.4339000    
 C   -3.284800     -0.3882000     -0.3813000    
 C   -2.189900      0.4563000     -4.5499999E-02
 C   -2.649400       1.772900     -0.1220000    
 C   -4.248000      -2.515200      0.5931000    
 C   -4.367600      0.4168000     -0.6502000    
 C   -3.547500      -2.423000      -1.854400    
 C  -0.8480000      0.2265000      0.3174000    
 C   -1.830800       2.875400      0.1473000    
 C  -1.7600000E-02   1.319600      0.5898000    
 C  -0.5035000       2.622900      0.5054000    
 C    2.317000      0.1601000     -0.4061000    
 C    3.770200     -0.2000000     -0.2643000    
 C    4.121800      -1.418900      0.3010000    
 C    4.742600      0.6903000     -0.7007000    
 C    5.469700      -1.753200      0.4324000    
 C    6.090400      0.3560000     -0.5693000    
 C    6.453900     -0.8658000     -2.7000001E-03
 H   -2.265600      -2.219200     -0.1739000    
 H   -5.275300      -2.184500      0.4008000    
 H   -4.233500      -3.603600      0.4606000    
 H   -5.382800      0.1840000     -0.9405000    
 H   -3.439300      -3.512500      -1.868600    
 H   -2.842200      -2.001100      -2.578900    
 H   -4.561500      -2.176700      -2.187900    
 H   -4.570400       2.523800     -0.6250000    
 H  -0.4755000     -0.7914000      0.3922000    
 H   -2.208300       3.890300      8.1799999E-02
 H   0.1443000       3.471300      0.7173000    
 H   -2.972500      -2.554000       2.186200    
 H   -4.539900      -2.746400       2.598000    
 H    1.733900     -0.7521000     -0.5761000    
 H    2.173100      0.7877000      -1.293700    
 H    3.363700      -2.117300      0.6443000    
 H    4.471000       1.645000      -1.142500    
 H    5.752800      -2.704300      0.8738000    
 H    6.857000       1.046900     -0.9078000    
 H    7.503300      -1.126000      9.9699996E-02


%chk=000059010-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059010

0 1
S 1.583958 0.412293 1.207145
N -3.931811 1.712074 -0.823451
N -3.098272 -2.289398 1.852380
C -3.649818 -2.038947 -0.585346
C -3.494284 -0.528673 -0.589857
C -2.314712 0.231038 -0.191677
C -2.619180 1.631027 -0.353034
C -4.100722 -2.569891 0.810861
C -4.453357 0.414673 -0.966638
C -4.632497 -2.534537 -1.672757
C -1.025902 -0.142388 0.278774
C -1.684094 2.648553 -0.057269
C -0.088873 0.869193 0.568034
C -0.414534 2.251159 0.405131
C 2.538575 0.368272 -0.476047
C 3.982189 0.007331 -0.239647
C 4.395321 -1.350877 -0.229388
C 4.953415 1.016381 -0.008032
C 5.746813 -1.692483 -0.002093
C 6.305852 0.678060 0.219655
C 6.707261 -0.678348 0.222424
H -2.654667 -2.488572 -0.773645
H -5.114394 -2.146263 1.022037
H -4.215553 -3.668967 0.737771
H -5.463513 0.263476 -1.342063
H -4.662445 -3.639513 -1.696037
H -4.332924 -2.175553 -2.673247
H -5.662944 -2.179745 -1.476754
H -4.427532 2.572370 -1.044970
H -0.773748 -1.195242 0.437885
H -1.928551 3.710177 -0.174213
H 0.337983 3.004713 0.660011
H -3.216810 -2.826174 2.715772
H -2.946634 -1.291964 2.031519
H 2.016901 -0.374102 -1.101141
H 2.423766 1.370025 -0.920554
H 3.651737 -2.139174 -0.398079
H 4.644208 2.068696 -0.005159
H 6.050885 -2.745379 -0.000222
H 7.044565 1.468684 0.393813
H 7.756341 -0.942106 0.398007


