%chk=000071823.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071823

0 1
 S   -2.478700       1.592400       1.391400    
 N  -0.7677000     -0.2268000     -0.4604000    
 N    3.322900      -2.869600      0.5632000    
 C    1.227300      -1.614600      9.1499999E-02
 C   0.1588000      -1.253300     -0.9555000    
 C    2.263800      -2.636800     -0.4129000    
 C  -0.2371000       1.063000     -0.2050000    
 C   -2.134300     -0.5848000     -0.3391000    
 C   0.5853000      -2.120500       1.388400    
 C  -0.9317000       1.987400      0.6003000    
 C   -3.016700      0.1761000      0.4533000    
 C   0.9839000       1.494400     -0.7682000    
 C    1.500500       2.770300     -0.5267000    
 C   -2.682000      -1.689200      -1.027800    
 C  -0.4047000       3.268200      0.8441000    
 C    4.051800      -1.630200      0.8368000    
 C    4.241700      -3.905300      8.8500001E-02
 C   0.8071000       3.657000      0.2829000    
 C   -4.372600     -0.1792000      0.5646000    
 C    2.800900       3.175500      -1.135200    
 C   -4.031600      -2.034900     -0.9178000    
 C   -4.877000      -1.281100     -0.1180000    
 C    3.990100       2.842000     -0.2382000    
 H    1.752300     -0.6927000      0.3468000    
 H   0.6153000     -0.9398000      -1.902400    
 H  -0.3092000      -2.208000      -1.199800    
 H    2.682500      -2.287500      -1.366500    
 H    1.743400      -3.580400     -0.6240000    
 H  -9.2900001E-02  -1.377500       1.819500    
 H    1.330800      -2.337400       2.160000    
 H   1.0300000E-02  -3.035900       1.210400    
 H    1.559500      0.8489000      -1.426200    
 H   -2.111900      -2.292200      -1.726600    
 H  -0.9345000       3.978100       1.476100    
 H    4.945500      -1.839400       1.437700    
 H    3.467500     -0.9325000       1.443900    
 H    4.381200      -1.125500     -7.8900002E-02
 H    3.705500      -4.844200     -8.8900000E-02
 H    5.004500      -4.120700      0.8450000    
 H    4.747400      -3.615600     -0.8399000    
 H    1.195800       4.650900      0.4857000    
 H   -5.052300      0.4014000       1.185300    
 H    2.929800       2.685200      -2.108200    
 H    2.795600       4.252300      -1.346200    
 H   -4.420400      -2.885300      -1.470400    
 H   -5.926600      -1.544600     -3.0099999E-02
 H    3.915100       3.355200      0.7264000    
 H    4.923800       3.152800     -0.7174000    
 H    4.049000       1.765800     -4.3299999E-02


%chk=000071823-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071823

0 1
S -2.408346 1.304249 1.775822
N -0.793806 -0.352432 -0.220090
N 3.543892 -2.815215 0.551285
C 1.296162 -1.647938 0.366426
C 0.140332 -1.419384 -0.646522
C 2.369247 -2.540701 -0.305717
C -0.295381 0.977079 -0.054747
C -2.204115 -0.567984 -0.316026
C 0.773157 -2.256979 1.682632
C -0.976417 1.896526 0.789638
C -3.100550 0.164571 0.512485
C 0.866704 1.429135 -0.734487
C 1.363928 2.745074 -0.568429
C -2.761385 -1.492929 -1.241712
C -0.520791 3.220524 0.929345
C 4.345614 -1.611989 0.848152
C 4.374474 -3.912655 0.016387
C 0.654106 3.642429 0.265940
C -4.493954 -0.020464 0.426631
C 2.656275 3.165330 -1.255821
C -4.155542 -1.708762 -1.299913
C -5.030137 -0.975777 -0.467964
C 3.917773 2.712456 -0.471544
H 1.748011 -0.663523 0.593377
H 0.550305 -1.217707 -1.661633
H -0.438542 -2.356323 -0.713561
H 2.679026 -2.064412 -1.278174
H 1.908911 -3.517177 -0.560733
H 0.028964 -1.590657 2.154494
H 1.606699 -2.425209 2.385403
H 0.291402 -3.237087 1.497166
H 1.397209 0.748188 -1.408864
H -2.108372 -2.035457 -1.931999
H -1.076593 3.914904 1.568429
H 5.198570 -1.889507 1.492407
H 3.741302 -0.869229 1.395916
H 4.754079 -1.117268 -0.072326
H 3.757793 -4.821131 -0.104673
H 5.187704 -4.144328 0.727460
H 4.841461 -3.677001 -0.974835
H 1.014583 4.669149 0.396768
H -5.154317 0.570428 1.070297
H 2.697800 2.739455 -2.277302
H 2.678196 4.265647 -1.369613
H -4.556292 -2.438342 -2.012223
H -6.112145 -1.134612 -0.516980
H 3.927381 3.149842 0.543107
H 4.841090 3.026419 -0.992504
H 3.941536 1.612172 -0.362973


