%chk=000021659.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021659

0 1
 S    2.128200      -1.025200      -1.123000    
 N   -4.383500       2.748800      0.1765000    
 N   -3.239400      -2.900900      0.4671000    
 C   -3.717500       1.527100     -0.2845000    
 C   -3.160300      0.7213000      0.9206000    
 C   -2.924700     -0.7114000      0.6498000    
 C   -1.722200      -1.294200      0.1606000    
 C   -1.946500      -2.668600      5.4800000E-02
 C   -2.618000       1.921400      -1.270800    
 C   -3.838600      -1.724300      0.8285000    
 C  -0.4608000     -0.7830000     -0.2040000    
 C   -4.971900       3.463700     -0.9541000    
 C   -3.437800       3.604500      0.8897000    
 C  -0.9687000      -3.560700     -0.3989000    
 C   0.5272000      -1.663600     -0.6593000    
 C   0.2750000      -3.030800     -0.7543000    
 C    2.682100     -0.2634000      0.4280000    
 C    4.043200      0.3629000      0.2981000    
 C    4.151500       1.691700     -9.0800002E-02
 C    5.174900     -0.3950000      0.5692000    
 C    5.413800       2.272900     -0.2111000    
 C    6.437200      0.1863000      0.4490000    
 C    6.556600       1.520300      5.8899999E-02
 H   -4.454800      0.9008000     -0.8044000    
 H   -3.875200      0.7846000       1.754100    
 H   -2.228200       1.167600       1.290400    
 H   -2.205000       1.010900      -1.721000    
 H   -1.769400       2.432900     -0.8067000    
 H   -2.962600       2.506900      -2.126600    
 H   -4.861300      -1.715000       1.179100    
 H   -3.681500      -3.809200      0.4977000    
 H  -0.2705000      0.2841000     -0.1315000    
 H   -5.557600       2.795900      -1.596000    
 H   -4.251500       4.012600      -1.569600    
 H   -5.679700       4.208900     -0.5708000    
 H   -3.981400       4.474400       1.281000    
 H   -2.629200       4.008700      0.2729000    
 H   -3.010300       3.127700       1.776400    
 H   -1.164100      -4.625200     -0.4732000    
 H    1.044900      -3.713700      -1.108300    
 H    2.695600      -1.025000       1.216900    
 H    1.962900      0.4990000      0.7480000    
 H    3.268200       2.287100     -0.3045000    
 H    5.093800      -1.434900      0.8729000    
 H    5.506900       3.311300     -0.5151000    
 H    7.327300     -0.3996000      0.6589000    
 H    7.539500       1.972700     -3.4899998E-02


%chk=000021659-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021659

0 1
S 2.218261 -0.447113 -1.100753
N -4.747280 2.866724 0.089905
N -3.076682 -2.777417 0.566209
C -4.081475 1.596318 -0.333197
C -3.328604 0.958712 0.876233
C -2.949733 -0.488936 0.667763
C -1.676240 -1.013855 0.197068
C -1.785511 -2.450259 0.143835
C -3.170464 1.723347 -1.584693
C -3.771054 -1.597491 0.882600
C -0.447862 -0.405866 -0.175786
C -5.829010 3.293910 -0.818143
C -3.840553 3.981563 0.427384
C -0.717739 -3.275397 -0.275114
C 0.621527 -1.224186 -0.588663
C 0.487107 -2.645597 -0.643845
C 3.176171 -0.613836 0.573489
C 4.540318 0.014396 0.449673
C 4.726906 1.394589 0.724772
C 5.660142 -0.756508 0.041665
C 6.002472 1.988594 0.603839
C 6.937343 -0.165286 -0.080647
C 7.112686 1.209687 0.201180
H -4.909556 0.902233 -0.585097
H -3.998525 1.060880 1.750478
H -2.416484 1.546663 1.098280
H -2.793782 0.731368 -1.888690
H -2.294332 2.367452 -1.382039
H -3.722457 2.154381 -2.440194
H -4.796686 -1.632477 1.246690
H -3.450796 -3.720102 0.645676
H -0.324026 0.681793 -0.151465
H -6.521967 2.451025 -0.993247
H -5.476708 3.662346 -1.814740
H -6.402112 4.113430 -0.345658
H -4.430677 4.800419 0.879018
H -3.292470 4.406326 -0.450265
H -3.095187 3.658103 1.173707
H -0.813821 -4.365864 -0.321164
H 1.335367 -3.244343 -0.991736
H 3.228728 -1.692170 0.793824
H 2.550638 -0.113261 1.329881
H 3.866535 2.001397 1.032024
H 5.526246 -1.821972 -0.181456
H 6.131618 3.054559 0.823010
H 7.793087 -0.774065 -0.393874
H 8.103242 1.669086 0.107960


