%chk=000191211.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191211

0 1
S 1.389970 -0.095688 -2.025345
O 1.194545 2.266864 -1.027454
O 0.476956 -1.228791 -2.318171
N -0.879730 1.303861 -1.005649
C -1.759438 0.113530 -1.124853
C -1.902949 -0.605028 0.227257
C -2.767107 -1.864642 0.079916
C -1.526268 2.568109 -0.536094
C 0.469208 1.304499 -1.235606
C 2.365921 -0.515842 -0.542978
C -2.955839 -2.576185 1.417263
C -2.206045 3.301565 -1.689330
C 3.354940 -1.613427 -0.915155
C 4.244389 -1.986094 0.270522
H -1.358308 -0.597103 -1.896143
H -2.754643 0.439526 -1.500368
H -0.904143 -0.882529 0.616649
H -2.342725 0.073620 0.981948
H -3.754746 -1.601972 -0.346451
H -2.295061 -2.556618 -0.648458
H -0.742084 3.221376 -0.079497
H -2.258127 2.325011 0.263904
H 1.724099 -0.837304 0.296158
H 2.885817 0.403084 -0.203154
H -3.451464 -1.933721 2.153481
H -3.569986 -3.476777 1.301062
H -1.996968 -2.889613 1.846263
H 2.807888 -2.516353 -1.265123
H 3.992508 -1.293801 -1.765304
H -2.670958 4.231117 -1.340632
H -2.986487 2.696824 -2.164434
H -1.483229 3.571518 -2.471474
H 4.956019 -2.773737 -0.004040
H 4.826284 -1.128478 0.627448
H 3.656061 -2.359003 1.116940


%chk=000191211-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191211

0 1
S 1.239772 -0.376537 -2.090853
O 1.172952 2.286145 -1.225519
O 0.356778 -1.792010 -1.867955
N -0.958322 1.314304 -1.007743
C -1.846305 0.123963 -1.127406
C -1.945103 -0.685779 0.182654
C -2.930199 -1.867900 0.042761
C -1.569113 2.581350 -0.496371
C 0.364538 1.328665 -1.305579
C 2.534674 -0.443223 -0.635396
C -3.032388 -2.707827 1.333588
C -2.108360 3.466175 -1.637263
C 3.436120 -1.663628 -0.840589
C 4.408630 -1.844348 0.348986
H -1.470181 -0.543999 -1.919765
H -2.845801 0.496066 -1.424900
H -0.939796 -1.084211 0.417555
H -2.258129 -0.030558 1.022085
H -3.936119 -1.486966 -0.231771
H -2.591729 -2.511893 -0.792365
H -0.798684 3.125986 0.075811
H -2.378560 2.293596 0.198475
H 1.929428 -0.521076 0.283879
H 3.061409 0.523763 -0.676362
H -3.387772 -2.095150 2.183887
H -3.734751 -3.552114 1.208387
H -2.046587 -3.127127 1.607870
H 2.800388 -2.563331 -0.947336
H 4.011345 -1.555197 -1.780650
H -2.582434 4.373857 -1.221417
H -2.864067 2.930793 -2.239736
H -1.287105 3.780491 -2.303604
H 5.058702 -2.722993 0.187157
H 5.058894 -0.959463 0.478675
H 3.856178 -2.002028 1.293909


