%chk=000296137.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296137

0 1
O 2.858908 -1.167276 -2.162131
O 3.919310 0.472415 0.613581
O 4.090131 2.596042 -0.107053
O -0.555464 -3.853326 -2.452663
N 1.398392 0.312569 -1.192727
N -1.920219 -0.229284 0.181825
C 1.200263 1.607425 -0.449461
C -0.164769 1.473378 0.146775
C 0.252811 -0.570731 -1.044600
C -0.724671 0.172276 -0.207915
C -0.880747 2.340195 0.913757
C 2.647976 -0.051152 -1.715765
C -2.188163 1.935654 1.353452
C 3.715141 1.026666 -1.788172
C -2.671224 0.651598 0.969472
C 0.190748 -1.785194 -1.624781
C 4.453879 1.259617 -0.466089
C -3.016235 2.771502 2.158145
C -3.969383 0.224377 1.392525
C -0.868483 -2.754415 -1.597056
C -4.260672 2.340140 2.553876
C -4.740417 1.056414 2.167384
C -2.085592 -2.985460 -1.001060
C -2.568904 -4.254391 -1.482341
C -1.623730 -4.737938 -2.348768
C 4.508320 -0.834854 0.767578
C 4.713736 3.090257 1.099902
H 1.274594 2.464699 -1.153113
H 1.996675 1.735255 0.330553
H -0.497943 3.317647 1.201224
H 3.290980 1.992159 -2.148955
H 4.441476 0.724502 -2.576310
H 1.062729 -2.136723 -2.224607
H 5.550768 1.138271 -0.532955
H -2.645239 3.752823 2.451047
H -4.317769 -0.762891 1.083903
H -4.899108 2.973587 3.168840
H -5.731738 0.745987 2.497738
H -2.605446 -2.352814 -0.301969
H -3.497433 -4.707475 -1.197456
H -1.509458 -5.609962 -2.951904
H 3.950265 -1.247618 1.618556
H 5.572607 -0.752542 0.999717
H 4.332087 -1.439649 -0.131791
H 4.490612 2.421685 1.938902
H 4.234381 4.066681 1.234359
H 5.790617 3.197977 0.946927


%chk=000296137-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296137

0 1
O 2.806926 -0.733481 -2.256494
O 3.841943 1.164727 0.777166
O 5.415620 2.370011 -0.561171
O -0.310487 -3.842239 -2.413610
N 1.220710 0.559139 -1.105637
N -2.100338 -0.289851 0.155903
C 0.889185 1.831639 -0.384496
C -0.472191 1.556904 0.191353
C 0.134715 -0.402007 -1.017307
C -0.910191 0.238188 -0.199357
C -1.285274 2.356321 0.976436
C 2.465418 0.361427 -1.699455
C -2.562821 1.838677 1.384347
C 3.475282 1.510599 -1.637952
C -2.929496 0.502818 0.945124
C 0.186569 -1.646780 -1.623649
C 4.514200 1.245799 -0.534668
C -3.475520 2.582501 2.195378
C -4.198757 -0.029274 1.338933
C -0.773338 -2.712841 -1.654184
C -4.708641 2.036444 2.564619
C -5.070860 0.721841 2.132405
C -2.055291 -3.015848 -1.170837
C -2.398279 -4.334763 -1.627865
C -1.322686 -4.801715 -2.373767
C 3.996988 -0.128737 1.463866
C 6.529307 2.246552 0.389632
H 0.865864 2.683503 -1.091769
H 1.658655 2.031411 0.383109
H -0.979769 3.361582 1.289471
H 3.034291 2.503204 -1.459517
H 4.001164 1.532856 -2.606896
H 1.109232 -1.866166 -2.171443
H 5.060939 0.290862 -0.715183
H -3.194125 3.590292 2.524595
H -4.458606 -1.036686 0.999060
H -5.402567 2.612780 3.185900
H -6.039680 0.304124 2.427389
H -2.632107 -2.324998 -0.561873
H -3.323835 -4.872898 -1.431560
H -1.120807 -5.724826 -2.910763
H 3.492431 -0.013101 2.435964
H 5.065273 -0.373809 1.631589
H 3.518317 -0.949837 0.896093
H 6.155003 2.229326 1.429796
H 7.159341 3.134800 0.232253
H 7.122892 1.329629 0.189465


