%chk=000189424.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189424

0 1
S -0.645208 4.139118 0.259566
F 3.275392 -0.431898 -2.886685
F 1.341219 0.158746 -2.311811
F 3.006314 1.368878 -1.820089
N -0.580814 -0.412180 0.307698
C 1.825320 -0.549837 0.492536
C 0.590053 0.274502 0.378466
C 2.781355 -0.631837 -0.536003
C -1.743094 0.300883 0.215601
C 0.659121 1.680968 0.383450
C -2.999653 -0.482442 0.139358
C -0.538029 2.388746 0.275197
C 2.028977 -1.256558 1.688996
C -1.757179 1.709482 0.186775
C 3.945863 -1.392194 -0.340476
C 2.597209 0.085518 -1.845973
C 3.183593 -2.019008 1.870092
C 4.146269 -2.080741 0.857263
C -3.072111 -1.619069 -0.681573
C -4.119370 -0.088022 0.889994
C -4.263373 -2.345357 -0.761090
C -5.305163 -0.821498 0.807852
C -5.379945 -1.947462 -0.019371
C 1.048036 4.738694 0.125377
H 1.621214 2.178724 0.471628
H 1.268816 -1.214308 2.472102
H -2.701064 2.244626 0.082242
H 4.707430 -1.454956 -1.120817
H 3.333374 -2.567417 2.800907
H 5.051803 -2.670263 0.999148
H -2.193941 -1.934679 -1.248540
H -4.062581 0.781926 1.542802
H -4.318879 -3.224887 -1.400755
H -6.172556 -0.516223 1.390642
H -6.306708 -2.515155 -0.083079
H 0.998568 5.831863 0.010372
H 1.565552 4.333978 -0.754124
H 1.641889 4.519737 1.020122


%chk=000189424-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189424

0 1
S -0.680636 4.251279 0.105447
F 4.173526 0.364967 -2.456127
F 1.966770 0.821800 -2.361627
F 3.428918 1.962621 -1.046672
N -0.641074 -0.398982 0.240561
C 1.771906 -0.575213 0.274167
C 0.542072 0.283118 0.202674
C 2.971465 -0.391360 -0.481292
C -1.817015 0.311178 0.228189
C 0.609564 1.698821 0.195816
C -3.076849 -0.488858 0.266666
C -0.598256 2.431133 0.160687
C 1.728698 -1.660673 1.189385
C -1.826190 1.727934 0.165093
C 4.086517 -1.243523 -0.273569
C 3.116749 0.652501 -1.558895
C 2.836309 -2.506346 1.392212
C 4.028885 -2.290324 0.666070
C -3.031660 -1.876671 -0.037836
C -4.328618 0.092545 0.607319
C -4.205397 -2.657356 -0.015113
C -5.502594 -0.689835 0.632140
C -5.447897 -2.067791 0.318005
C 1.129314 4.737014 -0.038304
H 1.577590 2.199232 0.224780
H 0.794837 -1.819571 1.735830
H -2.770358 2.275956 0.100879
H 4.990273 -1.096619 -0.871067
H 2.769637 -3.328571 2.112595
H 4.899031 -2.937305 0.815674
H -2.062040 -2.316129 -0.289744
H -4.392825 1.151816 0.879286
H -4.153622 -3.724258 -0.259714
H -6.458045 -0.226805 0.902916
H -6.360732 -2.673691 0.336127
H 1.123184 5.830662 -0.162255
H 1.587313 4.264900 -0.920545
H 1.678948 4.472802 0.878042


