%chk=000287590.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287590

0 1
O 1.235616 2.478215 0.200681
N 2.205095 -0.071433 0.162541
N 3.067140 0.993720 -0.017658
N 3.323781 3.352863 -0.191213
C -1.288422 -1.348683 0.150260
C 1.523457 -2.398883 0.119470
C -0.358550 -1.149664 1.362861
C -0.471365 -1.439267 -1.155817
C 0.735809 -2.219938 1.433412
C 0.566894 -2.562918 -1.081613
C -2.284735 -0.210949 0.051148
C 2.527183 -1.285835 -0.171628
C -3.658335 -0.489919 -0.000957
C -1.850672 1.123828 0.000375
C 3.800666 -1.711988 -0.847128
C -4.585697 0.551998 -0.102396
C -2.779738 2.160707 -0.100594
C -4.149630 1.878595 -0.152917
C 2.417557 2.277309 0.023176
H -1.837120 -2.313576 0.286811
H 2.114537 -3.347026 0.224118
H -0.952845 -1.156336 2.294657
H 0.111128 -0.141438 1.312139
H 0.033900 -0.469493 -1.342229
H -1.149755 -1.601929 -2.012945
H 1.437094 -1.965405 2.251801
H 0.282377 -3.193857 1.702746
H 0.052908 -3.540086 -0.994962
H 1.143399 -2.601984 -2.024402
H -4.008552 -1.518532 0.038054
H -0.778929 1.356486 0.046293
H 4.033101 -1.093394 -1.723991
H 3.755762 -2.748699 -1.208637
H 4.652341 -1.655776 -0.154095
H -5.649165 0.327220 -0.141467
H -2.433325 3.192229 -0.137271
H -4.870295 2.688170 -0.231361
H 3.897612 0.892762 -0.616239
H 4.293520 3.259813 0.070863
H 2.946754 4.274491 0.010316


%chk=000287590-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000287590

0 1
O 1.384878 2.619869 0.398083
N 2.206150 -0.041539 0.219674
N 3.050313 1.016338 -0.100697
N 3.572751 3.297516 -0.056494
C -1.313363 -1.352707 0.176115
C 1.557306 -2.390285 0.165504
C -0.381877 -1.161895 1.406329
C -0.472792 -1.477874 -1.129687
C 0.741402 -2.223187 1.478029
C 0.573760 -2.609862 -1.033134
C -2.340930 -0.227204 0.058132
C 2.529582 -1.258338 -0.162514
C -3.726137 -0.519043 -0.029936
C -1.931292 1.134383 0.006929
C 3.776048 -1.596329 -0.972610
C -4.684461 0.512125 -0.166429
C -2.887258 2.165135 -0.129805
C -4.266948 1.861363 -0.218022
C 2.577344 2.331823 0.112956
H -1.863843 -2.311031 0.304667
H 2.172649 -3.309095 0.266695
H -0.991351 -1.207272 2.330414
H 0.079955 -0.162686 1.363239
H 0.032982 -0.512761 -1.321193
H -1.149272 -1.663046 -1.986602
H 1.426157 -1.974590 2.311539
H 0.294132 -3.213145 1.709517
H 0.056260 -3.579466 -0.878538
H 1.136511 -2.696084 -1.984595
H -4.056186 -1.565497 0.011013
H -0.868894 1.399683 0.081460
H 3.876995 -0.950678 -1.869095
H 3.743148 -2.641102 -1.319967
H 4.699321 -1.479294 -0.368369
H -5.750599 0.263504 -0.230495
H -2.551962 3.208342 -0.163843
H -5.005036 2.665317 -0.322423
H 3.956433 0.868040 -0.562870
H 4.567716 3.083370 -0.082689
H 3.280909 4.268605 0.021915


