%chk=000258123.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258123

0 1
O 1.458908 2.527355 0.567072
O 4.838356 -0.733094 0.054967
O 3.284091 -0.072886 -1.453377
N -0.576150 1.553925 0.176851
N 0.643631 -0.976581 0.693846
N -2.688271 0.481700 -0.167718
N -2.833752 -1.982953 0.094510
N -4.725234 -0.707030 -0.471289
C -1.351837 0.392799 0.131974
C 1.363977 0.111597 0.716398
C -0.713254 -0.863898 0.416454
C 0.829653 1.495112 0.486828
C 2.838727 0.029218 0.971703
C -1.197296 2.870226 -0.119416
C -1.532726 -2.033823 0.379006
C -3.388813 -0.710154 -0.179953
C 3.599403 -0.238550 -0.302663
C -5.449146 0.538251 -0.788389
C 5.756179 -1.035225 -1.029233
H 3.067450 -0.764106 1.724888
H 3.215268 0.982900 1.421487
H -2.029941 3.069300 0.577545
H -1.598466 2.884231 -1.148161
H -0.442867 3.674219 -0.018361
H -1.090492 -3.021126 0.589238
H -5.236794 -1.586774 -0.482816
H -6.508451 0.319046 -0.992267
H -5.008971 1.039381 -1.672805
H -5.385911 1.258052 0.051072
H 6.633816 -1.418852 -0.498734
H 5.980187 -0.119346 -1.585017
H 5.312127 -1.789213 -1.687039


%chk=000258123-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258123

0 1
O 1.717769 2.093211 0.278649
O 4.955983 -0.293570 0.109212
O 3.196973 -0.476808 -1.407919
N -0.485350 1.298072 0.030452
N 0.450221 -1.267774 0.863978
N -2.692336 0.458782 -0.176206
N -3.160668 -1.905772 0.365339
N -4.848070 -0.462170 -0.347278
C -1.384721 0.239760 0.131885
C 1.296483 -0.250142 0.751466
C -0.889211 -1.037524 0.563567
C 0.900888 1.126178 0.341956
C 2.759818 -0.462557 1.041518
C -0.957872 2.628504 -0.410490
C -1.855462 -2.078849 0.658984
C -3.523302 -0.624232 -0.047583
C 3.606958 -0.405396 -0.229655
C -5.428071 0.802475 -0.803417
C 5.898680 -0.244108 -1.035673
H 2.891969 -1.455759 1.505132
H 3.147387 0.301688 1.737370
H -1.717818 3.010592 0.290400
H -1.415877 2.550307 -1.409490
H -0.082521 3.293619 -0.433657
H -1.533654 -3.074317 0.982587
H -5.424039 -1.297587 -0.238960
H -6.508834 0.661473 -0.965364
H -4.961300 1.136786 -1.747535
H -5.275428 1.601414 -0.055737
H 6.892033 -0.145733 -0.576285
H 5.668175 0.621992 -1.678094
H 5.824597 -1.168855 -1.632551


