%chk=000257032.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257032

0 1
S 1.149784 0.053469 -1.365387
O 0.284430 2.757542 1.146162
O 2.995801 -0.751226 1.852319
N 1.542482 0.911249 1.399454
C -0.134319 1.023691 -0.506368
C 1.573490 -1.137525 -0.065316
C -0.614322 2.099723 -1.495252
C -1.284252 0.133000 -0.098885
C 0.548990 1.659620 0.704309
C 2.611639 -2.102558 -0.638956
C 2.120099 -0.360494 1.110175
C 0.478552 3.044805 -1.977580
C -1.892542 0.272393 1.158279
C -1.779490 -0.823847 -0.999966
C 1.988391 -3.144610 -1.559255
C -2.962410 -0.552146 1.517903
C -2.849867 -1.644295 -0.635728
C -3.441197 -1.514669 0.624890
H 0.660577 -1.701790 0.264535
H -1.412350 2.693828 -0.991361
H -1.106675 1.611862 -2.362443
H 3.132029 -2.609219 0.208532
H 3.414147 -1.549141 -1.171716
H 1.959867 1.400467 2.214658
H 0.948660 3.582289 -1.141130
H 1.274764 2.533631 -2.531508
H 0.061312 3.807618 -2.647486
H -1.550706 1.031533 1.864397
H -1.336556 -0.934293 -1.991459
H 1.240857 -3.756345 -1.040309
H 1.493838 -2.687504 -2.425827
H 2.753538 -3.828637 -1.948076
H -3.425316 -0.438544 2.497976
H -3.226263 -2.386017 -1.339388
H -4.273882 -2.156961 0.907209


%chk=000257032-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257032

0 1
S 1.225329 0.051883 -1.512365
O 0.295399 2.747803 1.196488
O 3.049601 -0.849570 1.889360
N 1.570286 0.846437 1.400811
C -0.101500 1.017862 -0.508652
C 1.671461 -1.163539 -0.119783
C -0.653309 2.144725 -1.432376
C -1.272385 0.107379 -0.068402
C 0.594378 1.615801 0.728523
C 2.697935 -2.197275 -0.622099
C 2.165063 -0.403658 1.111245
C 0.391150 3.121719 -2.010573
C -1.979237 0.377392 1.133133
C -1.732167 -0.938594 -0.909090
C 2.114263 -3.167001 -1.669801
C -3.107457 -0.394499 1.491170
C -2.862137 -1.705915 -0.551966
C -3.553927 -1.439685 0.652178
H 0.724652 -1.671983 0.153834
H -1.390434 2.709918 -0.832095
H -1.213373 1.651096 -2.249146
H 3.057274 -2.756865 0.260800
H 3.579775 -1.667909 -1.030743
H 1.950735 1.303545 2.240767
H 0.914110 3.666952 -1.206618
H 1.145710 2.603909 -2.628774
H -0.115911 3.867635 -2.649013
H -1.662981 1.198032 1.786791
H -1.190698 -1.152919 -1.838036
H 1.249695 -3.721515 -1.258726
H 1.774213 -2.633911 -2.575865
H 2.875099 -3.906763 -1.976062
H -3.638017 -0.174913 2.424323
H -3.201217 -2.511004 -1.213544
H -4.428281 -2.037672 0.931708


