%chk=000179535.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179535

0 1
S 2.979043 0.852987 1.273437
N -1.211683 0.125364 -0.279993
C -0.332588 -1.080505 -0.393196
C 0.955577 -0.901036 0.470789
C -1.028606 -2.410988 -0.014248
C 1.895456 -2.107805 0.233843
C -0.092028 -3.603762 -0.231489
C 1.205552 -3.434625 0.568573
C -1.757768 0.356050 1.095301
C -2.312517 0.105666 -1.299277
C -2.475886 1.716141 1.139545
C -3.041063 1.460944 -1.293788
C -3.600179 1.780909 0.098344
C 1.686496 0.361467 0.176950
C 1.573440 1.276374 -0.820714
C 2.518390 2.371430 -0.722289
C 3.345637 2.288942 0.350447
H -0.015799 -1.138143 -1.469062
H 0.647095 -0.895300 1.550154
H -1.946906 -2.539381 -0.615999
H -1.359695 -2.382293 1.040537
H 2.811238 -2.000243 0.846519
H 2.238042 -2.111432 -0.819035
H 0.141112 -3.710710 -1.308557
H -0.600040 -4.540791 0.064367
H 0.988015 -3.483345 1.653032
H 1.892119 -4.276449 0.358577
H -0.904084 0.366539 1.808447
H -2.451060 -0.447515 1.423619
H -3.042674 -0.714546 -1.127654
H -1.856928 -0.066419 -2.297868
H -1.739765 2.522313 0.943267
H -2.874010 1.894520 2.154013
H -3.850484 1.451822 -2.045073
H -2.333544 2.257626 -1.600183
H -4.404245 1.067939 0.359940
H -4.064570 2.784065 0.100926
H 0.833155 1.237596 -1.610591
H 2.529775 3.165929 -1.456126
H 4.127482 2.958866 0.656610


%chk=000179535-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179535

0 1
S 3.185488 0.740172 1.215410
N -1.274786 0.057401 -0.265329
C -0.348554 -1.105195 -0.358797
C 0.962747 -0.931894 0.477008
C -1.014773 -2.470779 0.004251
C 1.911550 -2.146059 0.202254
C -0.074003 -3.669168 -0.249819
C 1.246596 -3.499506 0.531792
C -1.763833 0.413277 1.085934
C -2.361550 0.044966 -1.271344
C -2.434652 1.805020 1.069231
C -3.040323 1.428706 -1.362205
C -3.572006 1.859055 0.024061
C 1.687423 0.375956 0.232578
C 1.455222 1.407384 -0.664320
C 2.423434 2.479672 -0.611486
C 3.411668 2.289788 0.338354
H -0.041044 -1.158669 -1.426968
H 0.688663 -0.989514 1.554007
H -1.943479 -2.590387 -0.585994
H -1.310441 -2.458434 1.073287
H 2.836877 -2.022601 0.796147
H 2.215205 -2.121838 -0.863903
H 0.149496 -3.737530 -1.334898
H -0.574790 -4.615255 0.033853
H 1.037800 -3.551518 1.620551
H 1.944583 -4.326668 0.298853
H -0.908369 0.430505 1.783811
H -2.502642 -0.335481 1.475637
H -3.152457 -0.714858 -1.033984
H -1.926909 -0.233927 -2.251105
H -1.665876 2.561850 0.821061
H -2.822605 2.037424 2.080126
H -3.863148 1.388956 -2.102437
H -2.298926 2.169531 -1.720072
H -4.388729 1.172589 0.332102
H -4.006906 2.875427 -0.024283
H 0.574440 1.407115 -1.307911
H 2.377366 3.364104 -1.252371
H 4.253742 2.928585 0.599015


