%chk=000200704.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200704

0 1
S 2.769826 0.509736 0.339979
N 5.326268 1.173824 0.543720
N 4.799356 -0.904001 -0.628959
C -1.866907 -0.264334 0.165672
C -0.474737 -0.734559 0.253854
C -2.161826 1.083327 -0.098865
C -2.917889 -1.177700 0.362100
C 0.486752 -0.360627 -0.601524
C 1.887744 -0.845855 -0.508014
C -3.491032 1.508522 -0.170963
C -4.243640 -0.746795 0.283238
C -4.533387 0.596024 0.017310
C 4.496295 0.151090 0.040109
H -0.274883 -1.429344 1.074329
H -1.353297 1.798946 -0.239207
H -2.697775 -2.223290 0.568883
H 0.284446 0.326321 -1.428408
H 2.342175 -1.037044 -1.504859
H 2.007157 -1.786955 0.063814
H -3.714130 2.554698 -0.374417
H -5.054503 -1.458427 0.430283
H -5.567407 0.929001 -0.041392
H 6.287428 0.939909 0.748904
H 4.939127 1.841747 1.196631
H 5.764839 -1.138516 -0.833817


%chk=000200704-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200704

0 1
S 3.102345 -0.214025 1.213381
N 5.428532 1.017999 0.666984
N 4.376185 -0.098179 -1.223936
C -1.890114 -0.372490 0.079589
C -0.554579 -0.981855 0.230387
C -2.105939 0.898171 -0.529968
C -3.026052 -1.080582 0.566484
C 0.643836 -0.455803 -0.161301
C 1.953871 -1.156666 0.004601
C -3.403851 1.434199 -0.642582
C -4.326523 -0.544719 0.454292
C -4.522893 0.717321 -0.151586
C 4.448721 0.270948 0.022891
H -0.542228 -1.971672 0.713046
H -1.254767 1.468972 -0.917320
H -2.880651 -2.060616 1.038480
H 0.696215 0.532820 -0.636747
H 2.566656 -1.155305 -0.921590
H 1.849177 -2.177790 0.403692
H -3.548126 2.412845 -1.114653
H -5.184191 -1.108961 0.837632
H -5.530784 1.137387 -0.241804
H 6.240628 1.353376 0.152867
H 5.352231 1.243461 1.657517
H 5.152302 0.196862 -1.841957


