%chk=000205691.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205691

0 1
O -2.194451 0.468723 -1.036003
O -1.329291 1.404095 0.876631
O 1.726210 0.637613 -0.101277
O 3.960097 -0.002052 -0.103618
N 3.272110 2.226547 0.094904
C -3.351908 0.763353 -0.187692
C -2.713885 1.126940 1.178869
C -0.965950 0.702947 -0.329774
C -4.195763 -0.502400 -0.142628
C -4.071599 1.934088 -0.842890
C -0.257521 -0.592452 -0.022605
C 1.149261 -0.618552 0.095031
C -0.941801 -1.798003 0.153440
C 1.858560 -1.785604 0.382382
C -0.254069 -2.981053 0.442988
C 1.139188 -2.971105 0.557680
C 3.115991 0.860105 -0.050554
C 4.599464 2.834947 -0.130634
H -3.088551 2.059339 1.627235
H -2.746040 0.307721 1.914136
H -0.360261 1.413233 -0.928491
H -4.620321 -0.727589 -1.130475
H -3.579216 -1.375507 0.133041
H -5.023688 -0.421549 0.567379
H -3.451275 2.840009 -0.829057
H -4.276174 1.717995 -1.900910
H -5.023589 2.159710 -0.354314
H -2.034769 -1.805881 0.049765
H 2.949580 -1.778303 0.458459
H -0.804472 -3.909578 0.575090
H 1.675385 -3.893568 0.782575
H 2.459207 2.839313 0.080831
H 4.679922 3.282735 -1.135815
H 5.402284 2.077796 -0.028068
H 4.774936 3.617487 0.628565


%chk=000205691-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205691

0 1
O -2.395042 0.008626 -1.032021
O -1.039427 1.391255 0.332122
O 1.716275 0.473720 -0.369026
O 3.936244 0.203952 0.481549
N 3.017056 2.285581 -0.113489
C -3.298653 0.811384 -0.126662
C -2.326600 1.177881 1.022488
C -0.997456 0.345253 -0.727048
C -4.446637 -0.110813 0.300275
C -3.788931 2.049894 -0.899651
C -0.226592 -0.893740 -0.285286
C 1.179506 -0.810763 -0.088845
C -0.860835 -2.137650 -0.079236
C 1.938857 -1.929863 0.317959
C -0.121747 -3.268412 0.336546
C 1.271636 -3.157252 0.536185
C 3.000929 0.923309 0.056491
C 4.205176 3.092334 0.172075
H -2.572338 2.123273 1.530470
H -2.248400 0.350888 1.756539
H -0.520665 0.833043 -1.594869
H -5.032505 -0.425532 -0.580623
H -4.059159 -1.015422 0.800328
H -5.126750 0.413466 0.996375
H -2.942206 2.717585 -1.137156
H -4.262302 1.737101 -1.846053
H -4.531412 2.617717 -0.307928
H -1.935726 -2.201948 -0.272022
H 3.015602 -1.834683 0.464434
H -0.627627 -4.227155 0.492613
H 1.854108 -4.028863 0.854912
H 2.140854 2.725611 -0.397579
H 4.531953 3.652566 -0.723161
H 5.014527 2.411570 0.479740
H 4.015885 3.807587 0.993751


