%chk=000179658.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179658

0 1
O 3.340166 2.654288 1.325163
O 4.856862 0.345729 1.676772
O -0.112565 -0.764433 0.254506
O -1.943284 -0.508219 2.320492
N -3.265442 0.816967 -0.848188
C 3.299413 1.630728 0.330132
C 4.634643 0.846539 0.351826
C 2.098912 0.710114 0.587021
C 4.638484 -0.281945 -0.682090
C 2.164888 -0.562002 -0.200486
C 3.344269 -1.040371 -0.782595
C 0.981525 -1.331493 -0.360594
C -4.589767 1.526350 -0.800478
C 3.337577 -2.252553 -1.502622
C -2.356124 -0.560253 0.951873
C -2.444086 0.877802 0.390236
C -1.397804 -1.452683 0.145792
C 0.965060 -2.532346 -1.072974
C 2.162206 -2.983711 -1.642787
C -5.237160 1.322454 -2.186119
C -5.469058 0.886175 0.286654
C -4.430345 3.038229 -0.527500
H 3.181497 2.202762 -0.617554
H 5.501957 1.535832 0.220308
H 1.158311 1.257516 0.354244
H 2.020564 0.478356 1.670624
H 5.470537 -0.980597 -0.438406
H 4.889556 0.131230 -1.683737
H 4.258004 -2.617382 -1.952117
H -3.365363 -1.034467 1.011172
H -1.423460 1.265715 0.185326
H -2.874884 1.535723 1.176774
H -2.712279 1.147494 -1.644454
H -1.688897 -1.510064 -0.917372
H -1.297929 -2.456068 0.591825
H 0.057383 -3.113372 -1.192500
H 2.166929 -3.920056 -2.201661
H 3.705461 2.292204 2.170067
H 4.254424 -0.406256 1.869099
H -6.258062 1.716272 -2.204296
H -5.290450 0.256802 -2.441706
H -4.679331 1.823281 -2.982689
H -5.052629 1.025060 1.290284
H -5.569531 -0.193537 0.123519
H -6.474957 1.316784 0.287377
H -5.399664 3.546836 -0.548808
H -3.795036 3.523494 -1.273675
H -3.990857 3.230718 0.456310
H -0.998261 -0.244946 2.384910


%chk=000179658-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179658

0 1
O 3.891641 2.490407 1.590071
O 4.987488 -0.170291 1.643430
O -0.086163 -0.500618 0.402739
O -1.791599 -0.086322 2.584829
N -3.236312 1.032029 -0.746019
C 3.674167 1.555110 0.480637
C 4.865121 0.581556 0.368041
C 2.344662 0.787816 0.661721
C 4.703526 -0.346820 -0.844121
C 2.223612 -0.458765 -0.208569
C 3.330784 -1.016487 -0.900878
C 0.958748 -1.110740 -0.313030
C -4.680796 1.395701 -0.894822
C 3.166650 -2.200595 -1.666507
C -2.330401 -0.241473 1.225391
C -2.578848 1.146798 0.573108
C -1.424142 -1.136326 0.375013
C 0.791425 -2.283039 -1.083621
C 1.908367 -2.823408 -1.760567
C -5.063098 1.082442 -2.362634
C -5.537437 0.524446 0.056304
C -4.943495 2.905559 -0.604495
H 3.637764 2.190034 -0.422542
H 5.805012 1.155962 0.313916
H 1.499098 1.471258 0.470769
H 2.247992 0.502216 1.730339
H 5.502221 -1.111819 -0.830352
H 4.859166 0.252012 -1.764929
H 4.031434 -2.626774 -2.188170
H -3.296278 -0.758283 1.358174
H -1.599732 1.653605 0.466035
H -3.169573 1.745084 1.294740
H -2.677998 1.447596 -1.500764
H -1.813075 -1.177771 -0.660129
H -1.350673 -2.151914 0.809314
H -0.181824 -2.774755 -1.158427
H 1.788736 -3.735375 -2.355419
H 4.200786 1.938705 2.358683
H 4.328910 -0.913068 1.633791
H -6.125038 1.322388 -2.549739
H -4.896067 0.013202 -2.582071
H -4.453102 1.680304 -3.068058
H -5.297803 0.720787 1.117402
H -5.368183 -0.547734 -0.149144
H -6.610466 0.744682 -0.089492
H -6.017148 3.150782 -0.707738
H -4.377941 3.541376 -1.311856
H -4.635107 3.176585 0.422208
H -0.833612 0.158638 2.494336


