%chk=000121002.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121002

0 1
 S    4.739400      2.9000000E-03  0.6104000    
 N   -1.022800      -1.459000     -5.9999999E-02
 N   -2.065800      0.6366000      7.2700001E-02
 N   -3.357200      -1.358000     -0.2617000    
 N   -4.453000      0.7727000     -0.1291000    
 N   -3.163900       2.704500      0.1989000    
 C   0.3358000      -1.116900      0.1015000    
 C    3.022900     -0.4355000      0.4150000    
 C    1.326700      -1.891700     -0.5014000    
 C   0.6884000     -1.4000000E-03  0.8611000    
 C    2.670100      -1.551000     -0.3445000    
 C    2.031900      0.3394000       1.017900    
 C    4.778100       1.670600     -0.1049000    
 C   -2.203400     -0.6914000     -8.4500000E-02
 C    4.342500       1.637500      -1.557500    
 C   -3.231000       1.303200      3.9400000E-02
 C   -4.438800     -0.5623000     -0.2732000    
 H    1.064800      -2.762400      -1.097400    
 H  -4.5400001E-02  0.6031000       1.383800    
 H    3.428400      -2.165800     -0.8233000    
 H    2.284100       1.203500       1.627400    
 H   -1.182500      -2.428700     -0.3167000    
 H    4.145400       2.349600      0.4745000    
 H    5.805700       2.041500     -3.6899999E-02
 H    4.948500      0.9419000      -2.148300    
 H    3.287800       1.370100      -1.673700    
 H    4.467100       2.632700      -1.998300    
 H   -5.397200      -1.046500     -0.4129000    
 H   -2.264800       3.146900      0.3299000    
 H   -4.015700       3.248200      0.1817000    


%chk=000121002-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121002

0 1
S 4.711894 0.263508 0.972930
N -1.059991 -1.156433 -0.409303
N -2.388028 0.679684 0.375407
N -3.346542 -1.280595 -0.728398
N -4.809303 0.514313 0.017561
N -3.848971 2.374859 1.069935
C 0.257170 -0.761257 -0.067915
C 2.961879 -0.124657 0.540403
C 1.308204 -1.653319 -0.421379
C 0.570182 0.453651 0.600689
C 2.647331 -1.334213 -0.124432
C 1.914110 0.754203 0.903267
C 5.078862 1.619589 -0.322438
C -2.281129 -0.538908 -0.231831
C 5.158753 1.076336 -1.753902
C -3.674286 1.157669 0.472333
C -4.558791 -0.692336 -0.566403
H 1.077024 -2.595470 -0.934483
H -0.240709 1.128568 0.877453
H 3.451866 -2.020800 -0.405673
H 2.150909 1.679020 1.440978
H -1.163449 -2.060767 -0.879680
H 4.295781 2.389582 -0.216583
H 6.039999 2.048026 0.011899
H 5.955602 0.317621 -1.845005
H 4.202880 0.610522 -2.052556
H 5.375871 1.896316 -2.465939
H -5.427139 -1.241979 -0.942375
H -3.042146 2.884268 1.421320
H -4.791735 2.747299 1.154022


