%chk=000225238.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225238

0 1
O -3.039566 0.190961 -1.975253
O -3.120679 -3.229617 1.127373
O 1.725661 2.099352 -1.714931
N -1.224857 1.727722 0.020992
N -1.907293 -1.362632 1.704484
N -0.667588 0.789724 2.038525
N -3.080443 -1.514805 -0.429315
N 2.271665 2.133161 0.499634
C -1.828571 0.458425 0.070382
C -0.534810 1.894810 1.213229
C -1.464826 -0.094556 1.331801
C 0.237965 3.099692 1.615113
C -2.670967 -0.213006 -0.889643
C 1.481418 3.358940 0.743365
C -2.736595 -2.116803 0.818283
C -1.277818 2.620644 -1.136998
C -1.526236 -1.929704 3.020458
C -3.973518 -2.318024 -1.310169
C 2.267424 1.541525 -0.771180
C 2.993698 0.238032 -0.866181
C 2.321190 -0.862440 -1.414938
C 4.325681 0.121390 -0.448042
C 2.982227 -2.088680 -1.528427
C 4.981927 -1.106420 -0.569921
C 4.310058 -2.210760 -1.105818
H 0.542916 2.978605 2.683606
H -0.418224 3.997760 1.602359
H 1.184876 3.803743 -0.239210
H 2.136238 4.106665 1.247795
H -0.288743 2.646424 -1.657291
H -2.022057 2.254102 -1.879927
H -1.556818 3.644405 -0.842292
H -1.999342 -2.920846 3.159317
H -1.853446 -1.258113 3.834221
H -0.429668 -2.044025 3.083388
H -3.907740 -1.946169 -2.349984
H -5.020663 -2.236772 -0.972729
H -3.681561 -3.383056 -1.287412
H 2.537519 1.596862 1.322715
H 1.289882 -0.756706 -1.757466
H 4.851683 0.984647 -0.040783
H 2.462274 -2.947818 -1.951228
H 6.018433 -1.202286 -0.249824
H 4.823896 -3.167454 -1.197676


%chk=000225238-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225238

0 1
O -3.458447 0.340528 -1.861689
O -3.164248 -3.246253 1.185154
O 1.564873 1.759755 -1.762817
N -1.401823 1.790982 0.008059
N -1.885339 -1.334969 1.653216
N -0.641880 0.788195 1.917651
N -3.275493 -1.448963 -0.317280
N 2.292701 2.096758 0.421386
C -1.994645 0.518789 0.067970
C -0.596331 1.910059 1.133258
C -1.505618 -0.063106 1.249208
C 0.229525 3.111714 1.483093
C -2.942267 -0.131691 -0.799774
C 1.496342 3.315823 0.593260
C -2.790991 -2.081081 0.864128
C -1.531725 2.744546 -1.111400
C -1.346490 -1.917460 2.896212
C -4.233053 -2.250165 -1.113854
C 2.268355 1.380308 -0.769497
C 3.109991 0.133834 -0.824803
C 2.767044 -0.844381 -1.792586
C 4.228299 -0.086874 0.021759
C 3.512778 -2.036393 -1.895989
C 4.978137 -1.278379 -0.086969
C 4.618007 -2.258699 -1.040552
H 0.531266 2.978930 2.536785
H -0.373944 4.039392 1.429860
H 1.210904 3.642530 -0.419828
H 2.119318 4.108632 1.048438
H -0.621289 2.701749 -1.734856
H -2.403406 2.449588 -1.714849
H -1.677425 3.766042 -0.720143
H -1.806338 -2.908038 3.025069
H -1.588811 -1.267294 3.753393
H -0.249720 -2.013970 2.826106
H -4.523969 -1.642608 -1.983088
H -5.115896 -2.501381 -0.503612
H -3.759620 -3.191051 -1.438851
H 2.728773 1.677729 1.243827
H 1.916821 -0.643689 -2.452376
H 4.548364 0.678685 0.739092
H 3.236142 -2.790095 -2.640983
H 5.846063 -1.437668 0.562044
H 5.199666 -3.183459 -1.122770


