%chk=000245381.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245381

0 1
O -0.473686 1.372851 0.099450
O 1.054619 -0.710372 1.993642
N 2.475361 0.175560 0.455325
C -1.570716 0.419138 0.284473
C -2.705854 1.132607 1.030777
C -1.946265 0.060889 -1.159636
C -3.985910 0.289752 0.988870
C -3.232439 -0.772998 -1.185538
C -4.378043 -0.058978 -0.454081
C 0.439699 1.468793 1.194190
C 1.331836 0.219986 1.245209
C 3.325117 -1.049302 0.483096
C 2.799269 1.199526 -0.571340
C 4.632971 -0.795212 1.230116
C 1.953199 1.031728 -1.831198
H -1.199950 -0.464548 0.847573
H -2.879740 2.124602 0.570066
H -2.410820 1.331542 2.076811
H -1.114667 -0.488326 -1.638423
H -2.073238 0.991463 -1.747462
H -4.810590 0.836893 1.482661
H -3.841929 -0.639599 1.574088
H -3.048060 -1.760869 -0.719721
H -3.522641 -0.978260 -2.232945
H -5.281395 -0.696562 -0.455595
H -4.651763 0.864328 -1.000085
H -0.098502 1.571918 2.155115
H 0.994164 2.400844 0.976823
H 2.753333 -1.868208 0.988752
H 3.522927 -1.383449 -0.557979
H 2.640906 2.213660 -0.136615
H 3.882507 1.128572 -0.817640
H 5.237093 -0.013167 0.758774
H 4.443070 -0.481033 2.265474
H 5.240125 -1.706785 1.272495
H 2.092219 0.048595 -2.292640
H 0.876616 1.129686 -1.598604
H 2.197079 1.792335 -2.579379


%chk=000245381-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245381

0 1
O -0.394201 1.740609 0.024229
O 1.198897 -0.170271 2.493015
N 2.258206 0.185571 0.450434
C -1.419808 0.661575 0.027885
C -2.429304 0.799878 1.187018
C -2.116861 0.763014 -1.339078
C -3.559146 -0.254206 1.056131
C -3.245499 -0.288523 -1.472979
C -4.266067 -0.164121 -0.316772
C 0.460863 1.777733 1.218056
C 1.334314 0.522342 1.428347
C 3.121634 -0.997061 0.698183
C 2.517013 0.967221 -0.781152
C 4.379319 -0.641956 1.520525
C 2.003125 0.279724 -2.064233
H -0.902647 -0.321616 0.114832
H -2.860946 1.820839 1.156730
H -1.923138 0.673417 2.161969
H -1.369353 0.643500 -2.145943
H -2.538093 1.783365 -1.436131
H -4.288715 -0.119116 1.877373
H -3.127831 -1.269297 1.179013
H -2.805752 -1.307517 -1.463689
H -3.751504 -0.168938 -2.450111
H -5.038670 -0.952697 -0.401714
H -4.789352 0.811135 -0.396269
H -0.132839 1.889563 2.142916
H 1.080342 2.683434 1.088489
H 2.521407 -1.741613 1.248186
H 3.403362 -1.427726 -0.279844
H 2.033050 1.951281 -0.691850
H 3.610466 1.137004 -0.855356
H 4.986903 0.132800 1.017502
H 4.086139 -0.270672 2.516927
H 5.013095 -1.537417 1.657195
H 2.448745 -0.721959 -2.202753
H 0.906293 0.177227 -2.023960
H 2.262456 0.891073 -2.948226


