%chk=000249533.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249533

0 1
O 4.008009 0.549127 0.340476
O -0.758475 1.842541 -0.462004
O 2.869871 -1.398263 0.143912
N -2.036322 0.350214 0.698588
C -4.152727 0.097926 -0.618306
C -3.314579 0.993245 0.305116
C -4.832890 -1.056986 0.127913
C 0.393146 -0.001577 0.607198
C -0.818176 0.824332 0.208277
C 1.681547 0.744143 0.266511
C -5.690648 -1.903415 -0.809620
C 2.855305 -0.192508 0.236846
C 5.290688 -0.151930 0.270478
C 5.606590 -0.503051 -1.168074
H -4.920277 0.721621 -1.119479
H -3.521234 -0.297797 -1.438656
H -3.085839 1.960024 -0.210090
H -3.877108 1.248397 1.230577
H -5.461039 -0.657347 0.948682
H -4.071792 -1.698082 0.612846
H 0.371923 -0.981508 0.074602
H 0.371245 -0.252939 1.687294
H -2.111553 -0.547148 1.162471
H 1.585405 1.253323 -0.726387
H 1.861299 1.582895 0.974926
H -5.094689 -2.343434 -1.617749
H -6.171414 -2.728261 -0.271326
H -6.485947 -1.310981 -1.276849
H 5.966951 0.613924 0.692549
H 5.241025 -1.040169 0.924931
H 6.627780 -0.887719 -1.272811
H 4.922019 -1.276238 -1.548458
H 5.508109 0.369338 -1.827185


%chk=000249533-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249533

0 1
O 4.000166 0.499670 0.410151
O -0.836545 1.540873 -0.967316
O 2.796964 -1.467036 0.045892
N -2.087659 0.510737 0.702690
C -4.243814 0.189554 -0.578635
C -3.368194 1.118747 0.295215
C -4.721014 -1.090790 0.143919
C 0.307382 -0.049289 0.526478
C -0.905556 0.744861 0.020734
C 1.619991 0.701287 0.241153
C -5.625387 -1.972032 -0.744872
C 2.820907 -0.224828 0.221560
C 5.280949 -0.270213 0.323657
C 5.743040 -0.391655 -1.131134
H -5.127648 0.769567 -0.914864
H -3.675921 -0.080986 -1.489913
H -3.113560 2.031550 -0.270849
H -3.922873 1.416854 1.206418
H -5.269967 -0.808520 1.066575
H -3.840893 -1.683959 0.466512
H 0.338785 -1.019351 -0.007778
H 0.209655 -0.284655 1.603138
H -2.081713 -0.151919 1.479518
H 1.527784 1.182262 -0.754039
H 1.799334 1.520696 0.957803
H -5.090097 -2.290385 -1.658870
H -5.955376 -2.881946 -0.211050
H -6.529104 -1.418216 -1.061679
H 5.980496 0.324594 0.932480
H 5.124804 -1.263677 0.779912
H 6.733084 -0.883138 -1.168567
H 5.034764 -1.000551 -1.717616
H 5.833422 0.603586 -1.599423


