%chk=000216951.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216951

0 1
S 2.526534 1.506739 -0.251507
N -0.084344 0.726716 -0.108941
N 1.641893 -0.973707 -0.007914
N -4.973922 0.143859 0.161179
C -1.184375 -0.284078 -0.165912
C -2.525289 0.427170 0.047575
C -3.676422 -0.590765 0.084793
C 1.221620 0.245305 -0.140015
C 3.830426 0.237769 -0.105354
C 3.106856 -1.111856 0.084843
H -1.175740 -0.842484 -1.128618
H -1.001342 -1.038253 0.636744
H -2.717049 1.165560 -0.758596
H -2.499414 1.014522 0.987881
H -0.261549 1.567974 -0.663087
H -3.525255 -1.307404 0.921309
H -3.684835 -1.190279 -0.854105
H 4.481171 0.482668 0.751335
H 4.453412 0.248789 -1.015944
H 3.428501 -1.849294 -0.685614
H 3.351964 -1.557809 1.076064
H -5.025030 0.696957 1.011317
H -5.748809 -0.512098 0.186168


%chk=000216951-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216951

0 1
S 2.562522 1.601705 -0.032041
N -0.059900 0.642514 -0.241505
N 1.663619 -0.996189 -0.018506
N -4.962942 0.151897 0.297787
C -1.176967 -0.319597 -0.251598
C -2.507999 0.393254 0.052753
C -3.709941 -0.572690 0.006069
C 1.244677 0.235022 -0.117592
C 3.838583 0.213876 -0.225345
C 3.112818 -1.082000 0.263558
H -1.233013 -0.838207 -1.232694
H -0.957576 -1.096089 0.503158
H -2.695238 1.204116 -0.679082
H -2.446090 0.865141 1.054414
H -0.247301 1.602591 -0.529114
H -3.508135 -1.429664 0.695684
H -3.791478 -0.997151 -1.013190
H 4.719821 0.457630 0.387572
H 4.116960 0.154816 -1.289691
H 3.539610 -1.965793 -0.244094
H 3.266054 -1.211151 1.354811
H -4.992695 0.565792 1.235390
H -5.816387 -0.373821 0.086858


