%chk=000179726.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179726

0 1
S 3.811815 0.938587 -0.405707
O 0.138370 -1.997358 1.358053
N -0.043084 1.410060 0.310713
N 1.805645 -0.675697 0.422203
N 1.243529 1.616420 -0.143254
N 2.803514 -1.593922 0.818836
C -3.170100 0.044101 0.028610
C -1.912784 -0.079728 0.930832
C -0.577677 0.009669 0.181687
C -3.197006 1.403184 -0.694667
C -4.412182 -0.067506 0.935369
C -3.194182 -1.094563 -1.006414
C 0.448520 -0.996324 0.766618
C 2.120145 0.664076 0.005922
C 4.090688 2.645066 0.101504
H -1.949339 0.684592 1.734233
H -1.959180 -1.053309 1.472328
H -0.722996 -0.291153 -0.895445
H -2.393069 1.495069 -1.429971
H -3.115592 2.235875 0.011453
H -4.138280 1.538660 -1.240532
H -4.434155 -1.020126 1.475708
H -4.444887 0.733884 1.680279
H -5.337325 -0.007231 0.352604
H -2.330588 -1.054049 -1.678983
H -4.094095 -1.050879 -1.628403
H -3.181466 -2.077462 -0.521101
H -0.678317 2.103931 -0.118619
H 3.393364 -1.831919 0.012697
H 3.407723 -1.194650 1.546713
H 3.987159 2.774663 1.186004
H 3.385923 3.333919 -0.388926
H 5.111407 2.922920 -0.193543


%chk=000179726-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179726

0 1
S 3.944829 0.984369 -0.125794
O 0.262722 -2.233032 1.179094
N 0.030109 1.320207 0.814109
N 1.871823 -0.606382 0.746049
N 1.321608 1.697484 0.354341
N 2.946055 -1.512598 0.973384
C -3.096632 0.057241 -0.014775
C -1.899148 -0.267509 0.932893
C -0.488259 0.000994 0.365180
C -3.030898 1.520441 -0.528881
C -4.404084 -0.136569 0.799766
C -3.110349 -0.916387 -1.224112
C 0.538257 -1.051636 0.829981
C 2.199589 0.720638 0.337107
C 3.817607 2.818714 -0.542388
H -1.998360 0.313437 1.872023
H -1.949146 -1.336535 1.213173
H -0.510628 -0.061253 -0.753036
H -2.129520 1.698106 -1.146810
H -3.031573 2.242944 0.311119
H -3.908986 1.748406 -1.161618
H -4.473710 -1.165927 1.199143
H -4.450152 0.562969 1.656052
H -5.292747 0.042674 0.165955
H -2.203501 -0.813572 -1.849168
H -3.984261 -0.716008 -1.871783
H -3.168395 -1.966907 -0.884063
H -0.625206 2.096265 0.685944
H 2.734392 -2.419554 0.535554
H 3.127925 -1.617147 1.981631
H 3.488020 3.378421 0.344014
H 3.100780 2.968419 -1.362227
H 4.833338 3.118087 -0.845058


