%chk=000206324.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206324

0 1
S -0.026235 -2.383797 -0.099031
F -5.277490 -1.759867 -0.450255
N 0.402954 0.182285 0.218758
N -1.255344 1.919016 0.303554
C 0.007784 1.553587 0.349394
C 1.817366 -0.200417 0.282850
C -1.943594 -0.420081 -0.030911
C -0.548638 -0.831316 0.029863
C 1.071733 2.603316 0.545544
C -2.263159 0.955671 0.110066
C 2.538005 -0.347433 -0.907480
C 2.412399 -0.382663 1.538785
C -2.982364 -1.359292 -0.224263
C 3.898337 -0.689278 -0.839659
C -3.612071 1.396700 0.060050
C 1.641804 3.060571 -0.793201
C 3.767887 -0.719589 1.587976
C 4.508981 -0.866799 0.413084
C -4.283730 -0.887462 -0.267873
C -4.625746 0.476953 -0.129161
C 4.678404 -0.877718 -2.098335
H 0.622245 3.474919 1.079127
H 1.881765 2.232362 1.209487
H 2.045291 -0.232788 -1.871877
H 1.829096 -0.292733 2.452678
H -2.749254 -2.425148 -0.334197
H -3.822504 2.462663 0.172952
H 0.852915 3.437068 -1.458858
H 2.161666 2.248689 -1.317661
H 2.364589 3.874081 -0.652010
H 4.248136 -0.874672 2.554637
H 5.562740 -1.133728 0.469974
H -5.670172 0.791197 -0.171315
H 4.426467 -0.128244 -2.860937
H 5.763346 -0.823655 -1.938888
H 4.466687 -1.866197 -2.537865


%chk=000206324-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206324

0 1
S -0.076017 -2.531012 -0.080588
F -5.379351 -1.763450 -0.404489
N 0.404869 0.151734 0.220154
N -1.221513 1.927381 0.287978
C 0.038094 1.517728 0.333198
C 1.818286 -0.223930 0.306145
C -1.944170 -0.428904 -0.014631
C -0.549222 -0.889331 0.043860
C 1.117745 2.573882 0.468990
C -2.232870 0.972687 0.112480
C 2.582228 -0.322639 -0.872964
C 2.388183 -0.477469 1.571659
C -3.012780 -1.350408 -0.189383
C 3.952740 -0.679113 -0.809955
C -3.581979 1.426719 0.064386
C 1.529570 3.162574 -0.907646
C 3.753856 -0.823961 1.643107
C 4.528271 -0.920414 0.463902
C -4.315428 -0.857529 -0.231404
C -4.633571 0.517100 -0.108167
C 4.769197 -0.828291 -2.081279
H 0.685771 3.379779 1.085916
H 2.005524 2.177565 0.987562
H 2.100865 -0.152834 -1.842894
H 1.769957 -0.418034 2.473041
H -2.793978 -2.418124 -0.284844
H -3.764991 2.499892 0.165693
H 0.645112 3.559194 -1.435544
H 2.009041 2.399452 -1.545141
H 2.249480 3.987732 -0.764555
H 4.213577 -1.023126 2.617048
H 5.587888 -1.193834 0.531083
H -5.677712 0.839889 -0.148777
H 4.527815 -0.039860 -2.816437
H 5.852307 -0.783611 -1.874881
H 4.563502 -1.801232 -2.567622


