%chk=000185273.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185273

0 1
S 3.139898 0.672885 0.793875
O 2.310565 -0.398093 -1.464008
N 0.687099 -0.213694 0.192315
C -0.456683 -0.869082 -0.560989
C -1.769088 -0.223347 -0.095830
C -0.381735 -2.379511 -0.280773
C -0.337132 -0.613857 -2.070524
C 0.502815 0.021097 1.647968
C -2.865201 -0.989327 0.318835
C -1.890448 1.177341 -0.132585
C 1.949698 -0.094483 -0.348273
C -4.061653 -0.367242 0.694532
C -3.083110 1.796095 0.244280
C -4.174010 1.024116 0.659819
C 4.650064 0.722420 -0.238116
C 5.753878 -0.002518 0.495291
H 0.589043 -2.785530 -0.598661
H -0.494814 -2.611695 0.783070
H -1.149648 -2.929897 -0.835423
H 0.530927 -1.132238 -2.509347
H -0.202999 0.449388 -2.303399
H -1.233388 -0.958927 -2.596860
H 1.213404 -0.569870 2.253558
H -0.511904 -0.265012 1.973583
H 0.629748 1.093757 1.885245
H -2.806831 -2.076158 0.350298
H -1.043710 1.785299 -0.454716
H -4.907486 -0.974098 1.013456
H -3.165331 2.881391 0.212504
H -5.104629 1.506488 0.951990
H 4.437074 0.259396 -1.228858
H 4.896789 1.784826 -0.421405
H 5.968048 0.440025 1.477259
H 5.511385 -1.061577 0.663564
H 6.689665 0.023535 -0.081078


%chk=000185273-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185273

0 1
S 3.187533 1.106429 0.801255
O 2.449956 -0.523715 -1.302048
N 0.730107 -0.031955 0.236988
C -0.363725 -0.767046 -0.542696
C -1.735733 -0.224848 -0.074057
C -0.173798 -2.284423 -0.291768
C -0.278499 -0.482412 -2.072770
C 0.439456 0.369776 1.635079
C -2.768990 -1.076490 0.386422
C -2.003016 1.168014 -0.166325
C 2.019887 0.028528 -0.252980
C -4.035211 -0.554563 0.743032
C -3.261159 1.692788 0.192776
C -4.287611 0.831109 0.648731
C 4.778645 0.755293 -0.165021
C 5.534899 -0.466996 0.371570
H 0.835400 -2.574349 -0.628491
H -0.273312 -2.539897 0.779078
H -0.907606 -2.878383 -0.865486
H 0.612484 -0.944704 -2.519181
H -0.245477 0.602043 -2.274921
H -1.187792 -0.889307 -2.549658
H 1.325468 0.199944 2.269295
H -0.391765 -0.239728 2.022810
H 0.145942 1.432138 1.711599
H -2.597536 -2.154157 0.469744
H -1.213598 1.844426 -0.515228
H -4.821247 -1.232451 1.094864
H -3.442932 2.770783 0.116901
H -5.267305 1.235808 0.925961
H 4.461655 0.603840 -1.210245
H 5.364082 1.686470 -0.083592
H 5.799671 -0.346550 1.436733
H 4.920936 -1.377507 0.264157
H 6.470490 -0.616002 -0.201933


