%chk=000133645.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000133645

0 1
S -1.632096 2.566472 -0.269763
O 0.542915 0.862728 1.643404
O 2.503938 -2.689945 1.480083
O 3.904722 -1.096084 0.770514
N 1.585223 0.319807 -0.282337
C 1.517792 -1.128237 0.017665
C 1.433894 -1.824269 -1.355330
C 2.028564 -0.828425 -2.368708
C 2.035136 0.554452 -1.684339
C 1.006352 1.255689 0.579493
C 1.048143 2.728900 0.163843
C 2.791024 -1.552806 0.753322
C -0.258916 3.396575 0.587441
C 2.258830 3.378531 0.836502
C -2.336873 1.456894 0.996419
C -2.717478 0.204323 0.281161
C -1.922649 -0.946654 0.408415
C -3.874951 0.162092 -0.513566
C -2.285434 -2.125689 -0.245794
C -4.228758 -1.018858 -1.170989
C -3.438121 -2.164780 -1.037175
H 0.625469 -1.352162 0.677173
H 1.962025 -2.792698 -1.368019
H 0.374671 -2.043182 -1.596098
H 1.436928 -0.810823 -3.299977
H 3.054766 -1.125262 -2.652033
H 3.055993 0.994097 -1.670869
H 1.354324 1.268132 -2.195467
H 1.157226 2.824206 -0.947811
H -0.275466 4.463946 0.295823
H -0.392372 3.362857 1.686284
H 2.202443 3.304443 1.931985
H 2.335966 4.441561 0.582261
H 3.196700 2.895475 0.532013
H 3.279717 -3.022189 2.003112
H -1.593057 1.263850 1.804817
H -3.204912 1.950204 1.472713
H -1.014278 -0.913533 1.022175
H -4.496077 1.049805 -0.621354
H -1.674285 -3.019265 -0.132612
H -5.125489 -1.046493 -1.787820
H -3.720849 -3.084189 -1.544555


%chk=000133645-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133645

0 1
S -1.731649 2.608705 -0.388933
O 0.587269 0.650940 1.450494
O 2.438589 -2.734025 1.398968
O 3.763654 -0.847709 1.096000
N 1.675508 0.271863 -0.549614
C 1.718804 -1.180265 -0.291094
C 2.135963 -1.776845 -1.667736
C 3.020512 -0.663034 -2.282995
C 2.320063 0.644316 -1.839203
C 1.085376 1.114289 0.368401
C 1.097309 2.620978 0.064410
C 2.749182 -1.510015 0.795791
C -0.214491 3.269578 0.546388
C 2.324184 3.266369 0.771625
C -2.543491 1.513446 0.978294
C -3.103069 0.237866 0.397620
C -2.380801 -0.978875 0.521397
C -4.357860 0.223214 -0.266064
C -2.901440 -2.180951 -0.007480
C -4.875882 -0.976730 -0.802815
C -4.149232 -2.183771 -0.674925
H 0.739468 -1.549508 0.051993
H 2.654091 -2.744170 -1.567575
H 1.225855 -1.932843 -2.273967
H 3.098310 -0.737938 -3.380112
H 4.038020 -0.706647 -1.856775
H 3.038775 1.470552 -1.701080
H 1.553732 0.961821 -2.573358
H 1.183686 2.780731 -1.026369
H -0.187126 4.359990 0.380924
H -0.370755 3.071728 1.619702
H 2.255964 3.116333 1.863736
H 2.362677 4.351766 0.566739
H 3.272869 2.814144 0.430052
H 3.120492 -2.943465 2.093293
H -1.732383 1.302216 1.692026
H -3.324453 2.133960 1.446978
H -1.418202 -0.969057 1.047320
H -4.927673 1.155816 -0.361835
H -2.340640 -3.115955 0.108554
H -5.846064 -0.972860 -1.312898
H -4.554438 -3.116462 -1.083875


