%chk=000231379.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231379

0 1
O 2.584102 -1.758229 -0.654044
O 3.267549 -1.317552 1.480528
N 1.726194 0.085075 0.415039
N -2.609662 0.246133 -0.470615
C 1.200297 0.503627 -0.926874
C -0.265661 0.955830 -0.791340
C 2.088761 1.613285 -1.533348
C -1.181061 -0.204172 -0.363838
C 2.319159 2.779937 -0.564980
C 1.970486 1.198623 1.380339
C 2.871045 2.288066 0.778948
C -2.999198 1.073249 0.719721
C -3.522495 -0.936680 -0.619828
C -4.440463 1.583651 0.554930
C -4.972645 -0.458260 -0.804211
C -5.419693 0.417338 0.372882
C 2.613229 -0.997697 0.506254
C 3.256843 -3.056829 -0.597237
C 2.398784 -4.052162 0.155165
H 1.237303 -0.395247 -1.604955
H -0.355877 1.796994 -0.078528
H -0.617354 1.358705 -1.763855
H 1.634348 1.982861 -2.471359
H 3.063667 1.173490 -1.824019
H -0.903703 -0.555297 0.653563
H -1.020877 -1.068023 -1.045212
H 3.021128 3.506841 -1.016281
H 1.371797 3.330657 -0.405673
H 0.976149 1.614823 1.655783
H 2.422905 0.783043 2.311033
H 2.961838 3.130910 1.489061
H 3.897958 1.893590 0.644987
H -2.901849 0.518127 1.677641
H -2.303004 1.937951 0.773487
H -3.202465 -1.498806 -1.523885
H -3.462422 -1.637125 0.240523
H -4.492962 2.253334 -0.326896
H -4.722358 2.194141 1.431093
H -5.641002 -1.330612 -0.915169
H -5.049182 0.120093 -1.746979
H -5.471459 -0.185490 1.298925
H -6.441425 0.800574 0.196885
H 4.250897 -2.917982 -0.134757
H 3.347947 -3.282419 -1.675243
H 1.371914 -4.073242 -0.230288
H 2.338174 -3.790441 1.223332
H 2.806342 -5.067084 0.087894


%chk=000231379-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231379

0 1
O 2.155240 -1.796860 -0.612619
O 2.905451 -1.349645 1.572448
N 2.017384 0.355716 0.218066
N -2.386121 0.127264 -0.516346
C 1.420198 0.800609 -1.076841
C -0.098972 1.096545 -0.942811
C 2.222153 2.020684 -1.607813
C -0.928634 -0.154908 -0.588334
C 2.374508 3.143904 -0.554997
C 2.198043 1.380616 1.271788
C 3.008642 2.583073 0.738868
C -2.770812 0.822702 0.739014
C -3.202883 -1.098790 -0.713988
C -4.259887 1.225457 0.722700
C -4.705417 -0.758266 -0.786302
C -5.158550 -0.010100 0.488071
C 2.395877 -0.942578 0.489311
C 2.484270 -3.229983 -0.381124
C 1.327676 -3.955615 0.313625
H 1.544544 -0.036942 -1.782661
H -0.269952 1.894048 -0.195320
H -0.464279 1.490020 -1.910615
H 1.726464 2.407326 -2.518815
H 3.231028 1.672145 -1.905750
H -0.548606 -0.602514 0.364872
H -0.768114 -0.914456 -1.377548
H 2.998762 3.960237 -0.964785
H 1.385680 3.588154 -0.323180
H 1.203802 1.727645 1.622795
H 2.703898 0.893266 2.120437
H 3.057186 3.362977 1.522734
H 4.046221 2.254695 0.532405
H -2.577404 0.166126 1.630961
H -2.142112 1.724101 0.855804
H -2.877960 -1.582323 -1.654389
H -3.036361 -1.837518 0.116600
H -4.420051 1.959390 -0.090746
H -4.517385 1.720605 1.679080
H -5.288841 -1.689486 -0.922045
H -4.880427 -0.117946 -1.672554
H -5.081970 -0.691786 1.360880
H -6.220144 0.291184 0.405851
H 3.407917 -3.288314 0.221042
H 2.666863 -3.620137 -1.396086
H 0.390400 -3.841997 -0.259227
H 1.179145 -3.555675 1.330581
H 1.555528 -5.035048 0.395560


