%chk=000253749.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253749

0 1
O -1.125316 -1.491999 0.823330
N 0.394116 0.230078 0.288293
N -1.914288 0.501456 -0.092455
C 1.051237 0.855910 1.486276
C 1.555274 -0.477943 0.937023
C 1.877447 2.100671 1.234372
C 2.832462 -0.488053 0.174589
C 2.683202 2.030267 -0.072636
C 3.405239 0.724317 -0.264605
C -0.928742 -0.368441 0.399651
C 3.484618 -1.703741 -0.072762
C 4.639803 0.697503 -0.929614
C 4.710162 -1.718118 -0.742855
C 5.288201 -0.517138 -1.166054
C -3.305012 0.185333 -0.227679
C -4.132272 1.170004 -0.808620
C -3.847279 -1.035329 0.208170
C -5.498164 0.919874 -0.942036
C -5.216776 -1.262167 0.063469
C -6.046031 -0.291812 -0.507950
H 0.507476 0.870707 2.442242
H 1.341519 -1.407440 1.495071
H 2.569921 2.234720 2.092534
H 1.221150 2.993236 1.215267
H 3.386574 2.884589 -0.115892
H 1.988425 2.157323 -0.935814
H 3.033381 -2.640910 0.252476
H 5.095369 1.625597 -1.269138
H -1.607559 1.393885 -0.494367
H 5.212785 -2.663715 -0.935825
H 6.245641 -0.528034 -1.684677
H -3.719768 2.114652 -1.152128
H -3.204806 -1.803397 0.651932
H -6.141448 1.677025 -1.389844
H -5.639875 -2.208938 0.400414
H -7.111466 -0.478770 -0.616059


%chk=000253749-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253749

0 1
O -1.046843 -1.743200 0.453181
N 0.386584 0.140334 0.098180
N -1.904949 0.369485 -0.179830
C 0.966773 0.835145 1.323253
C 1.542383 -0.492948 0.838679
C 1.766627 2.103549 1.072306
C 2.883032 -0.493743 0.179940
C 2.601062 2.006044 -0.232848
C 3.426604 0.728964 -0.310998
C -0.891857 -0.520725 0.168450
C 3.630889 -1.690888 0.082429
C 4.717191 0.718845 -0.888586
C 4.914730 -1.690287 -0.505602
C 5.459607 -0.479972 -0.992339
C -3.308013 0.145501 -0.221379
C -4.132262 1.239273 -0.603696
C -3.902207 -1.104671 0.099497
C -5.532039 1.088061 -0.663026
C -5.306122 -1.237293 0.037721
C -6.130351 -0.152667 -0.340649
H 0.349012 0.803629 2.231190
H 1.270194 -1.399026 1.394545
H 2.436623 2.254589 1.942158
H 1.092581 2.980363 1.022341
H 3.254710 2.892755 -0.325366
H 1.898809 2.025994 -1.088536
H 3.202249 -2.625564 0.463541
H 5.144515 1.657363 -1.262908
H -1.576640 1.288516 -0.485825
H 5.485167 -2.622412 -0.581573
H 6.456868 -0.469523 -1.446340
H -3.675681 2.206062 -0.853519
H -3.263736 -1.944380 0.380685
H -6.154355 1.939406 -0.960515
H -5.757896 -2.204420 0.285988
H -7.218058 -0.270958 -0.386450


