%chk=000211240.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211240

0 1
S -1.160718 2.267264 0.014197
O 0.689698 -2.388165 -0.049498
N 2.225994 -0.634814 -0.012440
N 1.527257 1.676493 0.020095
N 3.260459 -1.601340 -0.021262
C -1.564415 -0.283510 -0.028428
C -2.499684 -1.447108 -0.051957
C -3.909655 -0.785521 -0.049757
C -3.713063 0.764809 -0.023844
C -2.236125 0.916203 -0.013253
C -0.140113 -0.137799 -0.018073
C 0.230051 1.210786 0.005401
C 0.854043 -1.196764 -0.029303
C 2.493858 0.760291 0.011064
C 3.913490 1.220077 0.026510
H -2.340154 -2.081042 -0.943699
H -2.350287 -2.108475 0.821439
H -4.478725 -1.086428 -0.942944
H -4.489327 -1.114724 0.826454
H -4.185927 1.214050 0.868235
H -4.176234 1.242500 -0.906146
H 4.455781 0.878431 0.919685
H 3.962003 2.328478 0.043822
H 4.466372 0.905881 -0.870239
H 3.854866 -1.485911 -0.847952
H 3.846953 -1.509661 0.813994


%chk=000211240-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211240

0 1
S -1.179763 2.367333 0.014058
O 0.840881 -2.349662 -0.055716
N 2.288478 -0.495857 -0.012341
N 1.550792 1.774693 0.021373
N 3.404099 -1.396428 -0.018686
C -1.525343 -0.284825 -0.030022
C -2.450965 -1.480159 -0.052074
C -3.890652 -0.834997 -0.053138
C -3.729982 0.736870 -0.019819
C -2.233620 0.900150 -0.013335
C -0.099578 -0.091043 -0.019754
C 0.275030 1.275029 0.006655
C 0.955679 -1.086727 -0.030901
C 2.548090 0.883432 0.010670
C 3.976252 1.353728 0.028267
H -2.277367 -2.110268 -0.943105
H -2.288901 -2.132630 0.824978
H -4.450089 -1.141141 -0.953527
H -4.469169 -1.178033 0.821498
H -4.203284 1.179752 0.877387
H -4.200387 1.216647 -0.899302
H 4.514929 0.969605 0.911751
H 3.972195 2.453402 0.040256
H 4.530037 0.987238 -0.853144
H 3.335436 -1.993817 -0.858121
H 3.343602 -1.998292 0.818194


