%chk=000189703.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189703

0 1
O 1.298169 -1.525000 -0.609140
O 0.717917 3.339290 -0.647157
O 3.280513 -2.457165 -0.094665
N -1.585298 0.637241 0.221408
C 0.572566 -0.328332 -0.252032
C -0.804719 -0.644724 0.412873
C -0.760407 1.521585 -0.680986
C 0.229163 0.596539 -1.426521
C 0.036109 2.465774 0.271246
C 1.512404 0.439754 0.691334
C -1.452893 -1.886161 -0.211286
C 1.061905 1.757807 1.195531
C -2.973002 0.409701 -0.289792
C -2.892862 -2.076222 0.279685
C -3.624595 -0.740684 0.492057
C 2.638161 -0.269807 0.863184
C 2.553938 -1.522678 0.071339
H -0.699828 -0.786433 1.515532
H -1.372892 2.136120 -1.374233
H -0.227065 0.055900 -2.269787
H 1.096707 1.144951 -1.833915
H -0.662350 3.076874 0.884766
H -0.835177 -2.777283 0.021952
H -1.434762 -1.811299 -1.316648
H 0.591814 1.609331 2.196895
H 1.930627 2.427299 1.367105
H -3.006640 0.194449 -1.379382
H -3.535374 1.354486 -0.120622
H -2.895122 -2.649111 1.226951
H -3.444339 -2.700339 -0.449255
H -4.685278 -0.834354 0.195251
H -3.630548 -0.487505 1.571716
H 3.517915 -0.048616 1.442277
H 1.205142 4.038512 -0.175182


%chk=000189703-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189703

0 1
O 1.392759 -1.548693 -0.600448
O 0.911374 3.272176 -0.733782
O 3.527609 -2.351016 -0.034895
N -1.551538 0.603047 0.174501
C 0.606356 -0.356086 -0.259214
C -0.793873 -0.696175 0.356189
C -0.731743 1.506201 -0.700717
C 0.247645 0.566587 -1.449180
C 0.069919 2.492189 0.191247
C 1.476873 0.439907 0.702764
C -1.501172 -1.891731 -0.314802
C 0.913516 1.719651 1.254827
C -2.974405 0.440291 -0.222611
C -2.922804 -2.072485 0.286373
C -3.604826 -0.702029 0.597828
C 2.663067 -0.204619 0.871401
C 2.665086 -1.465636 0.086593
H -0.679692 -0.915276 1.437570
H -1.372696 2.084353 -1.387862
H -0.259435 -0.000564 -2.247773
H 1.117131 1.097173 -1.864928
H -0.639650 3.158307 0.723575
H -0.892814 -2.802936 -0.179094
H -1.568367 -1.717459 -1.405368
H 0.217312 1.461476 2.078265
H 1.704098 2.363422 1.682226
H -3.090218 0.218964 -1.313213
H -3.505489 1.391276 -0.027529
H -2.860170 -2.670612 1.215010
H -3.540427 -2.655186 -0.422432
H -4.689592 -0.751601 0.390810
H -3.491181 -0.451836 1.669759
H 3.520747 0.095633 1.472643
H 1.356500 4.003187 -0.237235


