%chk=000199042.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199042

0 1
S -3.202349 1.120647 0.000018
N 0.490949 2.151672 -0.000302
N -0.586789 0.180026 -0.000284
N -0.834486 2.468324 -0.000465
N 4.370512 -1.371790 -0.000191
C -4.960395 -0.899086 0.000057
C -3.451676 -0.686310 -0.000268
C 0.653089 0.748216 -0.000097
C 1.934620 0.040251 -0.000158
C -5.296598 -2.390067 -0.001671
C -1.475314 1.260809 0.000315
C 1.945085 -1.363946 0.000990
C 3.157417 0.730986 -0.001362
C 3.181599 -2.028371 0.000948
C 4.348017 -0.014419 -0.001322
H -5.423899 -0.418564 0.887558
H -5.424704 -0.416368 -0.885831
H -2.966970 -1.139915 0.885462
H -2.967361 -1.139564 -0.886385
H -4.891705 -2.898639 0.881242
H -6.381630 -2.548077 -0.001178
H -4.892851 -2.896332 -0.886434
H 1.190805 2.880457 -0.000404
H 1.006884 -1.924416 0.001912
H 3.204485 1.815167 -0.002335
H 3.236091 -3.124619 0.001846
H 5.326174 0.482828 -0.002261


%chk=000199042-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000199042

0 1
S -3.261297 1.277635 0.000599
N 0.510573 2.194692 -0.000590
N -0.617442 0.273854 -0.001750
N -0.828866 2.591053 -0.001475
N 4.305131 -1.472915 -0.000203
C -4.958173 -0.954591 -0.000274
C -3.459000 -0.615360 0.000219
C 0.633776 0.817539 -0.000392
C 1.892352 0.067930 -0.000341
C -5.180349 -2.484812 -0.000907
C -1.464381 1.374058 0.000773
C 1.856917 -1.352051 -0.000244
C 3.166288 0.697142 -0.000427
C 3.071475 -2.067038 -0.000144
C 4.326607 -0.106078 -0.000356
H -5.443145 -0.508651 0.889470
H -5.442763 -0.507993 -0.889899
H -2.946558 -1.000689 0.896161
H -2.946051 -1.000403 -0.895564
H -4.729616 -2.954753 0.892785
H -6.258978 -2.723767 -0.001061
H -4.729516 -2.954031 -0.894925
H 1.228693 2.915658 -0.000703
H 0.892337 -1.866722 -0.000233
H 3.276781 1.787503 -0.000632
H 3.073215 -3.162548 -0.000060
H 5.320991 0.354237 -0.000425


