%chk=000273768.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273768

0 1
S 0.602952 -1.685014 0.046673
O 1.039948 -2.024378 -1.280174
O 0.445243 -2.732744 1.040059
O 1.703726 1.036153 -0.630906
N 1.874689 -0.739652 0.802379
N 3.408472 1.096959 0.931657
C -0.781926 -0.687603 0.024700
C -0.940992 0.298638 -0.957678
C -1.784567 -0.875685 0.988619
C -3.093647 0.902952 -0.014144
C -2.091208 1.089113 -0.979066
C -2.932619 -0.089579 0.972621
C -4.329957 1.736902 -0.041415
C 2.313411 0.499038 0.285683
C 4.001243 2.311765 0.329849
H -0.153134 0.461272 -1.708666
H -1.665417 -1.651235 1.755634
H -2.203420 1.853978 -1.745603
H -3.706948 -0.242800 1.721401
H 2.334603 -1.134081 1.632323
H -4.757935 1.890161 0.959077
H -4.156566 2.733553 -0.471524
H -5.108994 1.255073 -0.653770
H 4.026881 0.553159 1.523189
H 4.889393 2.082837 -0.281568
H 4.282286 3.014664 1.131886
H 3.263483 2.818657 -0.325337


%chk=000273768-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273768

0 1
S 0.660024 -1.635877 0.027249
O 1.108836 -1.981917 -1.485391
O 0.487345 -2.812354 1.139487
O 1.899014 1.125757 -0.718968
N 1.943005 -0.598392 0.862729
N 3.649850 1.016220 0.838515
C -0.892520 -0.573111 0.016838
C -1.074666 0.355054 -1.019174
C -1.826868 -0.809664 1.037051
C -3.266080 0.896033 -0.014711
C -2.280403 1.089419 -1.019582
C -3.021276 -0.057049 1.009568
C -4.569358 1.672546 -0.051532
C 2.476472 0.555408 0.254103
C 4.286151 2.259740 0.387143
H -0.297957 0.510827 -1.771999
H -1.630333 -1.561704 1.807818
H -2.452524 1.827437 -1.811022
H -3.772339 -0.217170 1.791454
H 2.401533 -1.129841 1.612329
H -4.980898 1.825112 0.961180
H -4.439047 2.661915 -0.522884
H -5.333544 1.126870 -0.638332
H 4.088820 0.485042 1.590515
H 5.312318 2.072161 0.021164
H 4.321356 3.012795 1.196236
H 3.682090 2.656848 -0.443885


