%chk=000214788.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214788

0 1
O -3.007132 1.741084 0.858614
O 0.384441 0.654150 0.770130
O 5.187187 -0.887347 2.397482
N -3.456704 -1.128423 0.619350
N 5.866484 -0.891230 0.236151
C -4.260921 -1.941852 -0.357216
C -2.251248 -0.456929 0.057339
C -1.953347 0.767081 0.947511
C -5.379585 -2.619291 0.460234
C -4.877234 -0.995948 -1.402517
C -3.410575 -3.022735 -1.058179
C -0.721833 1.553462 0.462319
C 1.665318 1.128096 0.612524
C 2.642058 0.178622 0.984753
C 2.012936 2.395781 0.130068
C 3.980797 0.533064 0.859220
C 3.370613 2.719717 0.026315
C 4.357332 1.798862 0.382089
C 5.032857 -0.459900 1.268535
H -3.182685 -1.705327 1.422658
H -1.351400 -1.108718 0.013996
H -2.452120 -0.119986 -0.984191
H -1.843242 0.479767 2.018286
H -5.947683 -1.881165 1.040500
H -6.088445 -3.135093 -0.195276
H -4.989234 -3.359932 1.164700
H -4.111628 -0.494200 -2.004470
H -5.472236 -0.211564 -0.918920
H -5.535434 -1.537290 -2.088637
H -2.912195 -3.679565 -0.339179
H -4.031783 -3.658680 -1.697785
H -2.637893 -2.586022 -1.697567
H -0.613216 2.498447 1.023773
H -0.733491 1.749852 -0.621250
H -3.880195 1.273529 0.853150
H 2.335157 -0.790904 1.375888
H 1.259500 3.124075 -0.153379
H 3.657422 3.707115 -0.338097
H 5.409373 2.065213 0.307134
H 5.757472 -0.596872 -0.716719
H 6.585912 -1.572245 0.422662


%chk=000214788-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214788

0 1
O -3.108832 1.477004 1.071935
O 0.431004 0.484639 0.986104
O 5.008023 -1.526099 1.566205
N -3.652513 -1.081037 0.645346
N 6.421582 -0.250428 0.250547
C -4.374634 -1.858209 -0.423904
C -2.224106 -0.713947 0.434847
C -1.964907 0.586002 1.249127
C -5.789510 -2.145629 0.135827
C -4.496486 -0.990654 -1.700611
C -3.654965 -3.197868 -0.751495
C -0.735056 1.363608 0.779833
C 1.695943 0.989047 0.661104
C 2.778786 0.107600 0.883710
C 1.927578 2.288557 0.141261
C 4.097437 0.509628 0.584277
C 3.253537 2.689935 -0.139239
C 4.338308 1.816363 0.075872
C 5.192959 -0.496465 0.846951
H -3.778426 -1.546897 1.557419
H -1.501301 -1.501374 0.724928
H -2.076880 -0.494371 -0.637303
H -1.836676 0.324288 2.323252
H -6.316125 -1.200871 0.359735
H -6.387655 -2.716817 -0.595851
H -5.737604 -2.742732 1.067217
H -3.517122 -0.817143 -2.181792
H -4.941829 -0.009604 -1.458584
H -5.141495 -1.498535 -2.439975
H -3.596636 -3.843150 0.145697
H -4.197941 -3.754282 -1.537714
H -2.626239 -3.019293 -1.113902
H -0.629598 2.291143 1.375513
H -0.837953 1.627890 -0.292163
H -3.861399 0.815520 0.909800
H 2.603675 -0.890505 1.295936
H 1.102117 2.983318 -0.036810
H 3.435028 3.700104 -0.522437
H 5.355841 2.175080 -0.114982
H 6.574157 0.508939 -0.408694
H 7.173312 -0.916054 0.425013


