%chk=000217725.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217725

0 1
O -2.974145 -0.159279 2.104721
O 3.142464 -0.043204 -0.001396
N -5.103572 0.448941 -0.640395
N -2.383569 0.810219 0.099065
C -4.769661 0.804012 0.772955
C -6.387221 1.091964 -1.075264
C -5.020824 -1.006307 -0.966383
C -3.302572 0.397694 1.072042
C -5.682494 0.238588 1.859871
C -6.469794 1.129934 -2.601530
C -6.176541 -1.899424 -0.513804
C -0.971714 0.553065 0.120274
C -0.224447 0.703934 -1.084629
C -0.321017 0.183334 1.306506
C 1.151645 0.492314 -1.060020
C 1.781612 0.125063 0.146159
C 1.059528 -0.035094 1.330557
C -0.882295 1.086357 -2.371712
C 3.902113 -0.452443 1.177273
C 5.334625 -0.523446 0.723856
C 6.233642 -1.337094 1.430136
C 5.780061 0.226530 -0.372773
C 7.573809 -1.391890 1.039043
C 7.120797 0.161985 -0.762113
C 8.019287 -0.644087 -0.056351
H -4.801871 1.930262 0.836975
H -6.403686 2.133532 -0.682246
H -7.282064 0.580640 -0.657517
H -4.066564 -1.402274 -0.550076
H -4.921437 -1.065494 -2.075542
H -5.781879 -0.856197 1.780400
H -6.684881 0.672295 1.814293
H -5.268849 0.433235 2.860854
H -7.302311 1.761409 -2.930624
H -6.620765 0.132353 -3.029565
H -5.549399 1.535742 -3.040566
H -6.013764 -2.936012 -0.829816
H -7.136381 -1.576644 -0.930386
H -6.275027 -1.904501 0.582871
H -2.756549 1.201181 -0.773550
H -0.898621 0.053670 2.231109
H 1.757758 0.599261 -1.957393
H 1.534688 -0.322982 2.261794
H -1.712068 0.409492 -2.623020
H -1.276518 2.112232 -2.332180
H -0.184854 1.051731 -3.221034
H 3.766846 0.312079 1.966138
H 3.514636 -1.431272 1.514754
H 5.893782 -1.926038 2.279335
H 5.070605 0.849347 -0.921366
H 8.272528 -2.021077 1.587876
H 7.464581 0.742155 -1.616908
H 9.063346 -0.691189 -0.359096


%chk=000217725-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217725

0 1
O -3.017211 0.228896 2.623833
O 3.104379 -0.128763 -0.134352
N -5.031477 0.422563 -0.460625
N -2.503912 0.437796 0.324262
C -4.839913 0.676036 0.999441
C -5.945711 1.370861 -1.149472
C -5.168897 -1.009194 -0.865235
C -3.354860 0.402182 1.411583
C -5.800744 -0.023508 1.990207
C -5.754465 1.382449 -2.678466
C -6.596212 -1.614715 -0.874902
C -1.092701 0.292081 0.273377
C -0.455714 0.365329 -1.008843
C -0.313548 0.076672 1.436915
C 0.942444 0.219490 -1.078754
C 1.719316 0.003465 0.085054
C 1.087603 -0.068997 1.348103
C -1.266905 0.596607 -2.272475
C 3.951440 -0.340308 1.045776
C 5.402952 -0.391217 0.606298
C 6.351921 -1.053957 1.424059
C 5.837612 0.244893 -0.581436
C 7.718945 -1.069776 1.068399
C 7.204228 0.222682 -0.940956
C 8.150034 -0.430014 -0.116918
H -4.971223 1.770508 1.134122
H -5.722681 2.381138 -0.756962
H -7.017252 1.168113 -0.915186
H -4.518395 -1.601941 -0.195571
H -4.742447 -1.118394 -1.882253
H -5.716734 -1.122430 1.933685
H -6.847714 0.269108 1.795122
H -5.528869 0.270637 3.017463
H -6.388499 2.166016 -3.131804
H -6.035181 0.419320 -3.141112
H -4.700954 1.595197 -2.936716
H -6.541015 -2.669898 -1.201781
H -7.259324 -1.084230 -1.582157
H -7.068917 -1.591154 0.120427
H -3.051420 0.574505 -0.546985
H -0.818465 0.023839 2.403982
H 1.456591 0.268883 -2.044205
H 1.658329 -0.238279 2.265620
H -2.016142 -0.204172 -2.434090
H -1.815392 1.559090 -2.238814
H -0.613233 0.619630 -3.159662
H 3.791624 0.496574 1.760601
H 3.664792 -1.284198 1.554533
H 6.023820 -1.561952 2.340134
H 5.098148 0.737907 -1.218959
H 8.442991 -1.585766 1.708959
H 7.530615 0.714091 -1.864652
H 9.209341 -0.445094 -0.397006


