%chk=000257135.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257135

0 1
S 2.226383 4.157895 0.463086
O 0.147563 -0.451761 2.526469
O 0.603740 0.857863 -2.085580
O 1.655049 -3.342920 -0.663538
N 0.881317 -1.873740 0.935699
N 1.130838 -1.207462 -1.358300
C 0.237718 0.494647 0.291488
C -1.261292 0.878061 0.254587
C 1.132468 1.672257 0.771709
C -2.175905 -0.293718 -0.120662
C 0.399537 -0.602803 1.353316
C 0.655141 0.115157 -1.131608
C -3.644143 0.154660 -0.176978
C 0.961892 2.949630 -0.033285
C 1.255645 -2.234878 -0.386363
C -4.568098 -1.003002 -0.544754
H -1.403434 1.709684 -0.468499
H -1.551459 1.281799 1.248052
H 2.196148 1.345663 0.749245
H 0.902965 1.864003 1.845563
H -1.883716 -0.717567 -1.101602
H -2.073070 -1.118667 0.611954
H -3.761742 0.974104 -0.913816
H -3.948067 0.578204 0.801020
H 1.105554 2.773614 -1.126225
H -0.050460 3.379779 0.073285
H 0.977902 -2.608380 1.657628
H 1.410826 -1.452692 -2.323877
H -4.509521 -1.818533 0.185578
H -4.322473 -1.423824 -1.526829
H -5.614131 -0.676262 -0.583716
H 1.779424 4.458690 1.699852


%chk=000257135-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257135

0 1
S 2.300344 4.162851 0.494576
O -0.093019 -0.580472 2.473016
O 0.385490 0.712829 -2.190400
O 2.295877 -3.185382 -0.542971
N 1.103002 -1.831750 0.944817
N 1.367293 -1.180888 -1.310209
C 0.180052 0.406890 0.240566
C -1.316361 0.850907 0.214139
C 1.122104 1.591080 0.731124
C -2.306219 -0.282009 -0.137708
C 0.357950 -0.693477 1.304001
C 0.623152 0.006803 -1.174872
C -3.770129 0.214375 -0.157941
C 0.991821 2.904700 -0.057616
C 1.640185 -2.139441 -0.317798
C -4.774740 -0.902972 -0.511120
H -1.418952 1.662416 -0.528137
H -1.560490 1.260170 1.212428
H 2.177250 1.256399 0.695913
H 0.870430 1.763887 1.795051
H -2.057701 -0.704112 -1.133373
H -2.217605 -1.106364 0.598718
H -3.863489 1.042953 -0.888967
H -4.022550 0.640450 0.834208
H 1.180152 2.764421 -1.132972
H 0.002007 3.369459 0.064429
H 1.265564 -2.530515 1.677741
H 1.716015 -1.404125 -2.248661
H -4.721520 -1.730705 0.220849
H -4.564386 -1.324832 -1.511977
H -5.812797 -0.523772 -0.516674
H 1.813872 4.329726 1.782719


