%chk=000253233.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253233

0 1
O 3.249459 -1.700405 1.079371
O 2.127842 1.289114 -1.402294
N -2.304967 -0.440624 -0.164377
N 2.022954 -1.439066 -0.846223
C -2.141260 0.589276 0.915373
C -3.238462 0.051532 -1.233063
C -3.504308 0.896016 1.557736
C -4.618709 0.350220 -0.623672
C -4.511929 1.380052 0.507733
C -0.976003 -0.804411 -0.761931
C -0.240786 -1.752181 0.200712
C 0.981283 -2.418411 -0.444669
C 3.022918 -1.080833 0.054732
C 3.910355 0.082351 -0.376536
C 3.163516 1.335567 -0.772177
C 3.791103 2.628231 -0.356326
H -1.676977 1.528460 0.544549
H -1.455997 0.169378 1.683600
H -3.338140 -0.753659 -1.992815
H -2.854198 0.952456 -1.757731
H -3.891065 -0.019293 2.049424
H -3.379390 1.651462 2.353711
H -5.303810 0.708999 -1.412267
H -5.055080 -0.589828 -0.229732
H -4.199642 2.360907 0.102851
H -5.501697 1.539264 0.973353
H -1.152214 -1.326678 -1.727501
H -0.343911 0.082115 -0.990896
H 0.063142 -1.208896 1.117246
H -0.945127 -2.537398 0.549616
H 1.430228 -3.149110 0.272070
H 0.690073 -2.991037 -1.353111
H 1.739293 -0.766394 -1.570316
H 4.547782 -0.247322 -1.228035
H 4.630953 0.274525 0.450631
H 4.845516 2.700989 -0.654188
H 3.755828 2.758414 0.736246
H 3.263927 3.489717 -0.797194


%chk=000253233-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253233

0 1
O 3.300549 -1.712644 1.192509
O 2.487342 1.221287 -1.819972
N -2.399695 -0.447397 -0.158317
N 2.008584 -1.284543 -0.710516
C -2.285857 0.468019 1.007363
C -3.276786 0.137091 -1.207345
C -3.668897 0.760515 1.625223
C -4.692799 0.412858 -0.662606
C -4.632538 1.345702 0.568292
C -1.079059 -0.841522 -0.711709
C -0.289679 -1.791477 0.213424
C 1.005607 -2.330424 -0.439486
C 3.061328 -1.045320 0.139295
C 4.028480 0.088646 -0.293630
C 3.422248 1.318842 -0.970095
C 3.999899 2.667534 -0.583462
H -1.805316 1.438305 0.704083
H -1.632262 0.001965 1.765597
H -3.328303 -0.576493 -2.051538
H -2.846471 1.095297 -1.606902
H -4.086011 -0.184384 2.024012
H -3.549252 1.460009 2.475195
H -5.314097 0.859428 -1.462986
H -5.156235 -0.550629 -0.374570
H -4.269424 2.346288 0.253334
H -5.642002 1.488826 0.998405
H -1.269133 -1.368352 -1.668981
H -0.452893 0.057379 -0.955858
H -0.017297 -1.293426 1.162155
H -0.942215 -2.648423 0.469426
H 1.480552 -3.064335 0.234041
H 0.765004 -2.838684 -1.393879
H 1.872938 -0.615683 -1.482397
H 4.746228 -0.359702 -1.013095
H 4.610578 0.373419 0.597300
H 5.102738 2.659799 -0.669298
H 3.766837 2.882166 0.477638
H 3.579808 3.463563 -1.216748


